bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methanone;4-[9-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]fluoren-9-yl]-2,6-bis(hydroxymethyl)phenol;4-(hydroxymethyl)phenol;naphthalene-1,5-diol;naphthalene-2,7-diol;naphthalen-2-ol

C83H76O20 — CID 162142817

IUPACbis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methanone;4-[9-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]fluoren-9-yl]-2,6-bis(hydroxymethyl)phenol;4-(hydroxymethyl)phenol;naphthalene-1,5-diol;naphthalene-2,7-diol;naphthalen-2-ol
SMILESO=C(c1cc(CO)c(O)c(CO)c1)c1cc(CO)c(O)c(CO)c1.OCc1cc(C2(c3cc(CO)c(O)c(CO)c3)c3ccccc3-c3ccccc32)cc(CO)c1O.OCc1ccc(O)cc1.Oc1ccc2ccc(O)cc2c1.Oc1ccc2ccccc2c1.Oc1cccc2c(O)cccc12
InChIInChI=1S/C29H26O6.C17H18O7.2C10H8O2.C10H8O.C7H8O2/c30-13-17-9-21(10-18(14-31)27(17)34)29(22-11-19(15-32)28(35)20(12-22)16-33)25-7-3-1-5-23(25)24-6-2-4-8-26(24)29;18-5-11-1-9(2-12(6-19)16(11)23)15(22)10-3-13(7-20)17(24)14(4-10)8-21;11-9-3-1-7-2-4-10(12)6-8(7)5-9;11-9-5-1-3-7-8(9)4-2-6-10(7)12;11-10-6-5-8-3-1-2-4-9(8)7-10;8-5-6-1-3-7(9)4-2-6/h1-12,30-35H,13-16H2;1-4,18-21,23-24H,5-8H2;2*1-6,11-12H;1-7,11H;1-4,8-9H,5H2
InChIKeyZKDPDMSFSMMBQW-UHFFFAOYSA-N
MW1393.50 g/mol
LogP11.66
Rot. Bonds13

About bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methanone;4-[9-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]fluoren-9-yl]-2,6-bis(hydroxymethyl)phenol;4-(hydroxymethyl)phenol;naphthalene-1,5-diol;naphthalene-2,7-diol;naphthalen-2-ol

bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methanone;4-[9-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]fluoren-9-yl]-2,6-bis(hydroxymethyl)phenol;4-(hydroxymethyl)phenol;naphthalene-1,5-diol;naphthalene-2,7-diol;naphthalen-2-ol (PubChem CID 162142817) has the molecular formula C83H76O20 and a molecular weight of 1393.50 g/mol. Its IUPAC name is bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methanone;4-[9-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]fluoren-9-yl]-2,6-bis(hydroxymethyl)phenol;4-(hydroxymethyl)phenol;naphthalene-1,5-diol;naphthalene-2,7-diol;naphthalen-2-ol.

Molecular Properties

Compound Namebis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methanone;4-[9-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]fluoren-9-yl]-2,6-bis(hydroxymethyl)phenol;4-(hydroxymethyl)phenol;naphthalene-1,5-diol;naphthalene-2,7-diol;naphthalen-2-ol
PubChem CID162142817
Molecular FormulaC83H76O20
Molecular Weight1393.50 g/mol
Exact Mass1392.49
IUPAC Namebis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methanone;4-[9-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]fluoren-9-yl]-2,6-bis(hydroxymethyl)phenol;4-(hydroxymethyl)phenol;naphthalene-1,5-diol;naphthalene-2,7-diol;naphthalen-2-ol
SMILESO=C(c1cc(CO)c(O)c(CO)c1)c1cc(CO)c(O)c(CO)c1.OCc1cc(C2(c3cc(CO)c(O)c(CO)c3)c3ccccc3-c3ccccc32)cc(CO)c1O.OCc1ccc(O)cc1.Oc1ccc2ccc(O)cc2c1.Oc1ccc2ccccc2c1.Oc1cccc2c(O)cccc12
InChIInChI=1S/C29H26O6.C17H18O7.2C10H8O2.C10H8O.C7H8O2/c30-13-17-9-21(10-18(14-31)27(17)34)29(22-11-19(15-32)28(35)20(12-22)16-33)25-7-3-1-5-23(25)24-6-2-4-8-26(24)29;18-5-11-1-9(2-12(6-19)16(11)23)15(22)10-3-13(7-20)17(24)14(4-10)8-21;11-9-3-1-7-2-4-10(12)6-8(7)5-9;11-9-5-1-3-7-8(9)4-2-6-10(7)12;11-10-6-5-8-3-1-2-4-9(8)7-10;8-5-6-1-3-7(9)4-2-6/h1-12,30-35H,13-16H2;1-4,18-21,23-24H,5-8H2;2*1-6,11-12H;1-7,11H;1-4,8-9H,5H2
InChIKeyZKDPDMSFSMMBQW-UHFFFAOYSA-N
XLogP11.66
TPSA401.44 Ų
H-Bond Donors19
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001393.50
LogP ≤ 511.66
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1020

Analyze bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methanone;4-[9-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]fluoren-9-yl]-2,6-bis(hydroxymethyl)phenol;4-(hydroxymethyl)phenol;naphthalene-1,5-diol;naphthalene-2,7-diol;naphthalen-2-ol with MolForge

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Related Compounds

1-[[2-hydroxy-5-[9-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]fluoren-9-yl]-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol
CID 138492957
anthracen-1-ol;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane
CID 158196216
anthracene-1,8-diol;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane
CID 159179801
bis(naphthalene-2,7-diol);naphthalen-1-ol
CID 174973186
6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol
CID 142536403
6-[18,27-bis(6-hydroxynaphthalen-2-yl)-9,18,27-trinaphthalen-2-yl-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenyl]naphthalen-2-ol
CID 89491411
6-[9,18,27-tri(anthracen-2-yl)-18,27-bis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenyl]naphthalen-2-ol
CID 89491461
naphthalene-1,4-diol;naphthalene-2,6-diol
CID 67516588
1-(2,5-dihydroxyphenyl)-2-naphthalen-2-ylethanone
CID 86168502
6-[9,18,18,27,27-pentakis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaenyl]naphthalen-2-ol
CID 89491369
[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
CID 89273761
9-naphthalen-2-yl-10-[4-[9-(4-naphthalen-1-ylphenyl)fluoren-9-yl]phenyl]anthracene
CID 123292733

Frequently Asked Questions

What is the IUPAC name of bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methanone;4-[9-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]fluoren-9-yl]-2,6-bis(hydroxymethyl)phenol;4-(hydroxymethyl)phenol;naphthalene-1,5-diol;naphthalene-2,7-diol;naphthalen-2-ol?
The IUPAC name of bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methanone;4-[9-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]fluoren-9-yl]-2,6-bis(hydroxymethyl)phenol;4-(hydroxymethyl)phenol;naphthalene-1,5-diol;naphthalene-2,7-diol;naphthalen-2-ol (CID 162142817) is bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methanone;4-[9-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]fluoren-9-yl]-2,6-bis(hydroxymethyl)phenol;4-(hydroxymethyl)phenol;naphthalene-1,5-diol;naphthalene-2,7-diol;naphthalen-2-ol.
What is the SMILES notation for bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methanone;4-[9-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]fluoren-9-yl]-2,6-bis(hydroxymethyl)phenol;4-(hydroxymethyl)phenol;naphthalene-1,5-diol;naphthalene-2,7-diol;naphthalen-2-ol?
The canonical SMILES for bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methanone;4-[9-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]fluoren-9-yl]-2,6-bis(hydroxymethyl)phenol;4-(hydroxymethyl)phenol;naphthalene-1,5-diol;naphthalene-2,7-diol;naphthalen-2-ol is O=C(c1cc(CO)c(O)c(CO)c1)c1cc(CO)c(O)c(CO)c1.OCc1cc(C2(c3cc(CO)c(O)c(CO)c3)c3ccccc3-c3ccccc32)cc(CO)c1O.OCc1ccc(O)cc1.Oc1ccc2ccc(O)cc2c1.Oc1ccc2ccccc2c1.Oc1cccc2c(O)cccc12.
What is the InChIKey of bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methanone;4-[9-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]fluoren-9-yl]-2,6-bis(hydroxymethyl)phenol;4-(hydroxymethyl)phenol;naphthalene-1,5-diol;naphthalene-2,7-diol;naphthalen-2-ol?
The InChIKey is ZKDPDMSFSMMBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26O6.C17H18O7.2C10H8O2.C10H8O.C7H8O2/c30-13-17-9-21(10-18(14-31)27(17)34)29(22-11-19(15-32)28(35)20(12-22)16-33)25-7-3-1-5-23(25)24-6-2-4-8-26(24)29;18-5-11-1-9(2-12(6-19)16(11)23)15(22)10-3-13(7-20)17(24)14(4-10)8-21;11-9-3-1-7-2-4-10(12)6-8(7)5-9;11-9-5-1-3-7-8(9)4-2-6-10(7)12;11-10-6-5-8-3-1-2-4-9(8)7-10;8-5-6-1-3-7(9)4-2-6/h1-12,30-35H,13-16H2;1-4,18-21,23-24H,5-8H2;2*1-6,11-12H;1-7,11H;1-4,8-9H,5H2.
What are the key properties of bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methanone;4-[9-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]fluoren-9-yl]-2,6-bis(hydroxymethyl)phenol;4-(hydroxymethyl)phenol;naphthalene-1,5-diol;naphthalene-2,7-diol;naphthalen-2-ol?
bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methanone;4-[9-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]fluoren-9-yl]-2,6-bis(hydroxymethyl)phenol;4-(hydroxymethyl)phenol;naphthalene-1,5-diol;naphthalene-2,7-diol;naphthalen-2-ol has a molecular weight of 1393.50 g/mol, XLogP of 11.66, 13 rotatable bonds, 19 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methanone;4-[9-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]fluoren-9-yl]-2,6-bis(hydroxymethyl)phenol;4-(hydroxymethyl)phenol;naphthalene-1,5-diol;naphthalene-2,7-diol;naphthalen-2-ol is sourced from PubChem (CID 162142817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).