ethane;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;bis(2-methylpropane);bis(naphthalene-2,6-diol)

C58H82O7 — CID 158876456

IUPACethane;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;bis(2-methylpropane);bis(naphthalene-2,6-diol)
SMILESC.C.CC.CC.CC.CC.CC(C)C.CC(C)C.Oc1ccc2cc(O)ccc2c1.Oc1ccc2cc(O)ccc2c1.Oc1ccc2cc(Oc3ccc4cc(O)ccc4c3)ccc2c1
InChIInChI=1S/C20H14O3.2C10H8O2.2C4H10.4C2H6.2CH4/c21-17-5-1-15-11-19(7-3-13(15)9-17)23-20-8-4-14-10-18(22)6-2-16(14)12-20;2*11-9-3-1-7-5-10(12)4-2-8(7)6-9;2*1-4(2)3;4*1-2;;/h1-12,21-22H;2*1-6,11-12H;2*4H,1-3H3;4*1-2H3;2*1H4
InChIKeyJCMMHXGBLSYVQR-UHFFFAOYSA-N
MW891.29 g/mol
LogP18.40
Rot. Bonds2

About ethane;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;bis(2-methylpropane);bis(naphthalene-2,6-diol)

ethane;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;bis(2-methylpropane);bis(naphthalene-2,6-diol) (PubChem CID 158876456) has the molecular formula C58H82O7 and a molecular weight of 891.29 g/mol. Its IUPAC name is ethane;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;bis(2-methylpropane);bis(naphthalene-2,6-diol).

Molecular Properties

Compound Nameethane;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;bis(2-methylpropane);bis(naphthalene-2,6-diol)
PubChem CID158876456
Molecular FormulaC58H82O7
Molecular Weight891.29 g/mol
Exact Mass890.61
IUPAC Nameethane;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;bis(2-methylpropane);bis(naphthalene-2,6-diol)
SMILESC.C.CC.CC.CC.CC.CC(C)C.CC(C)C.Oc1ccc2cc(O)ccc2c1.Oc1ccc2cc(O)ccc2c1.Oc1ccc2cc(Oc3ccc4cc(O)ccc4c3)ccc2c1
InChIInChI=1S/C20H14O3.2C10H8O2.2C4H10.4C2H6.2CH4/c21-17-5-1-15-11-19(7-3-13(15)9-17)23-20-8-4-14-10-18(22)6-2-16(14)12-20;2*11-9-3-1-7-5-10(12)4-2-8(7)6-9;2*1-4(2)3;4*1-2;;/h1-12,21-22H;2*1-6,11-12H;2*4H,1-3H3;4*1-2H3;2*1H4
InChIKeyJCMMHXGBLSYVQR-UHFFFAOYSA-N
XLogP18.40
TPSA130.61 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500891.29
LogP ≤ 518.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

Benzyl 2-naphthyl ether
CID 123080
(R)-(+)-2'-Methoxy-(1,1'-binaphthalen)-2-ol
CID 318597
5-(4-methoxyphenyl)-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol
CID 21868866
Isoplagiochin A
CID 11026227
Dihydroisoplagiochin A
CID 44581395
6-Methoxy-2-naphthol
CID 288634
3H-Naphtho[2,1-b]pyran, 3,3-diphenyl-
CID 3104870
5-(4-ethoxyphenyl)-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol
CID 90644079
14-propyl-14H-dibenzo[a,j]xanthene
CID 277509
3-(4-(3-Butyl-2-(4-hydroxyphenyl)naphthalen-1-yloxy)phenyl)acrylic acid
CID 11619024
4-(2-methoxy-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenol
CID 13720325
2-(4-Methoxy-benzyl)-naphthalen-1-ol
CID 15617839

Frequently Asked Questions

What is the IUPAC name of ethane;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;bis(2-methylpropane);bis(naphthalene-2,6-diol)?
The IUPAC name of ethane;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;bis(2-methylpropane);bis(naphthalene-2,6-diol) (CID 158876456) is ethane;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;bis(2-methylpropane);bis(naphthalene-2,6-diol).
What is the SMILES notation for ethane;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;bis(2-methylpropane);bis(naphthalene-2,6-diol)?
The canonical SMILES for ethane;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;bis(2-methylpropane);bis(naphthalene-2,6-diol) is C.C.CC.CC.CC.CC.CC(C)C.CC(C)C.Oc1ccc2cc(O)ccc2c1.Oc1ccc2cc(O)ccc2c1.Oc1ccc2cc(Oc3ccc4cc(O)ccc4c3)ccc2c1.
What is the InChIKey of ethane;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;bis(2-methylpropane);bis(naphthalene-2,6-diol)?
The InChIKey is JCMMHXGBLSYVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O3.2C10H8O2.2C4H10.4C2H6.2CH4/c21-17-5-1-15-11-19(7-3-13(15)9-17)23-20-8-4-14-10-18(22)6-2-16(14)12-20;2*11-9-3-1-7-5-10(12)4-2-8(7)6-9;2*1-4(2)3;4*1-2;;/h1-12,21-22H;2*1-6,11-12H;2*4H,1-3H3;4*1-2H3;2*1H4.
What are the key properties of ethane;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;bis(2-methylpropane);bis(naphthalene-2,6-diol)?
ethane;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;bis(2-methylpropane);bis(naphthalene-2,6-diol) has a molecular weight of 891.29 g/mol, XLogP of 18.40, 2 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;bis(2-methylpropane);bis(naphthalene-2,6-diol) is sourced from PubChem (CID 158876456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).