(15R,16R)-15-(hydroxymethyl)-16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-ol

C18H18O2 — CID 101177767

IUPAC(15R,16R)-15-(hydroxymethyl)-16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-ol
SMILESC[C@@H]1C2c3ccccc3C(O)(c3ccccc32)[C@H]1CO
InChIInChI=1S/C18H18O2/c1-11-16(10-19)18(20)14-8-4-2-6-12(14)17(11)13-7-3-5-9-15(13)18/h2-9,11,16-17,19-20H,10H2,1H3/t11-,16-,17?,18?/m0/s1
InChIKeyUWNPWGJZVJKXHP-GUUKOKDOSA-N
MW266.34 g/mol
LogP2.63
Rot. Bonds1

About (15R,16R)-15-(hydroxymethyl)-16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-ol

(15R,16R)-15-(hydroxymethyl)-16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-ol (PubChem CID 101177767) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (15R,16R)-15-(hydroxymethyl)-16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-ol.

Molecular Properties

Compound Name(15R,16R)-15-(hydroxymethyl)-16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-ol
PubChem CID101177767
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(15R,16R)-15-(hydroxymethyl)-16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-ol
SMILESC[C@@H]1C2c3ccccc3C(O)(c3ccccc32)[C@H]1CO
InChIInChI=1S/C18H18O2/c1-11-16(10-19)18(20)14-8-4-2-6-12(14)17(11)13-7-3-5-9-15(13)18/h2-9,11,16-17,19-20H,10H2,1H3/t11-,16-,17?,18?/m0/s1
InChIKeyUWNPWGJZVJKXHP-GUUKOKDOSA-N
XLogP2.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (15R,16R)-15-(hydroxymethyl)-16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-ol with MolForge

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Related Compounds

(15S,17R)-15,17-dimethyltetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaen-16-ol
CID 10515770
(15S,18R)-16-oxapentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaen-1-ol
CID 101171617
(15S,18S)-16-oxapentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaen-8-ol
CID 101171618
(1S,2S,3R)-1,2,3-trimethyl-2,3-dihydroinden-1-ol
CID 100995671
2-[2-(carboxymethyl)-1-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,17,19,21,23,25,27-dodecaenyl]acetic acid
CID 10576392
(15R,16S)-15-(bromomethyl)-16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
CID 95564443
2,4-dithiaoctacyclo[11.6.6.65,12.01,5.06,11.014,19.020,25.026,31]hentriaconta-6,8,10,14,16,18,20,22,24,26,28,30-dodecaene
CID 101168678
15-(4-methoxyphenyl)-1,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
CID 132569222
(1R,3R)-2-methyl-2,3-dihydro-1H-indene-1,3-diol
CID 10535021
(15S,16R)-1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diol
CID 125495959
1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419502
1-(9-acetyl-1-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,17,19,21,23,25,27-dodecaenyl)ethanone
CID 15351273

Frequently Asked Questions

What is the IUPAC name of (15R,16R)-15-(hydroxymethyl)-16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-ol?
The IUPAC name of (15R,16R)-15-(hydroxymethyl)-16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-ol (CID 101177767) is (15R,16R)-15-(hydroxymethyl)-16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-ol.
What is the SMILES notation for (15R,16R)-15-(hydroxymethyl)-16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-ol?
The canonical SMILES for (15R,16R)-15-(hydroxymethyl)-16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-ol is C[C@@H]1C2c3ccccc3C(O)(c3ccccc32)[C@H]1CO.
What is the InChIKey of (15R,16R)-15-(hydroxymethyl)-16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-ol?
The InChIKey is UWNPWGJZVJKXHP-GUUKOKDOSA-N. The full InChI is InChI=1S/C18H18O2/c1-11-16(10-19)18(20)14-8-4-2-6-12(14)17(11)13-7-3-5-9-15(13)18/h2-9,11,16-17,19-20H,10H2,1H3/t11-,16-,17?,18?/m0/s1.
What are the key properties of (15R,16R)-15-(hydroxymethyl)-16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-ol?
(15R,16R)-15-(hydroxymethyl)-16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-ol has a molecular weight of 266.34 g/mol, XLogP of 2.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (15R,16R)-15-(hydroxymethyl)-16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-ol is sourced from PubChem (CID 101177767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).