2-[(1R,6R)-6-(2,6-dimethoxyphenyl)-4-methylcyclohex-3-en-1-yl]propan-2-ol

C18H26O3 — CID 46844981

IUPAC2-[(1R,6R)-6-(2,6-dimethoxyphenyl)-4-methylcyclohex-3-en-1-yl]propan-2-ol
SMILESCOc1cccc(OC)c1[C@@H]1CC(C)=CC[C@H]1C(C)(C)O
InChIInChI=1S/C18H26O3/c1-12-9-10-14(18(2,3)19)13(11-12)17-15(20-4)7-6-8-16(17)21-5/h6-9,13-14,19H,10-11H2,1-5H3/t13-,14-/m1/s1
InChIKeyPAQJFFYWSXDVDI-ZIAGYGMSSA-N
MW290.40 g/mol
LogP3.91
Rot. Bonds4

About 2-[(1R,6R)-6-(2,6-dimethoxyphenyl)-4-methylcyclohex-3-en-1-yl]propan-2-ol

2-[(1R,6R)-6-(2,6-dimethoxyphenyl)-4-methylcyclohex-3-en-1-yl]propan-2-ol (PubChem CID 46844981) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-[(1R,6R)-6-(2,6-dimethoxyphenyl)-4-methylcyclohex-3-en-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(1R,6R)-6-(2,6-dimethoxyphenyl)-4-methylcyclohex-3-en-1-yl]propan-2-ol
PubChem CID46844981
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name2-[(1R,6R)-6-(2,6-dimethoxyphenyl)-4-methylcyclohex-3-en-1-yl]propan-2-ol
SMILESCOc1cccc(OC)c1[C@@H]1CC(C)=CC[C@H]1C(C)(C)O
InChIInChI=1S/C18H26O3/c1-12-9-10-14(18(2,3)19)13(11-12)17-15(20-4)7-6-8-16(17)21-5/h6-9,13-14,19H,10-11H2,1-5H3/t13-,14-/m1/s1
InChIKeyPAQJFFYWSXDVDI-ZIAGYGMSSA-N
XLogP3.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(1R,6R)-6-(2,6-dimethoxyphenyl)-4-methylcyclohex-3-en-1-yl]propan-2-ol with MolForge

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Related Compounds

(6aS,10aS)-1-methoxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromene
CID 122380336
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CID 118593665
1-[2-(2,6-dimethoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 116811386
2,3-dihydroxy-4-(3-methoxy-2-methylphenyl)cyclopentane-1-carbaldehyde
CID 142988660
2-(2,6-dimethoxyphenyl)-4,4-dimethylcyclohexan-1-amine
CID 116811362
2-(2,6-dimethoxyphenyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 116811353
2-(2-fluoro-3-methoxyphenyl)-2-hydroxypropanal
CID 82805418
(2R)-2-(2-methoxyphenyl)but-3-en-2-ol
CID 124509510
1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol
CID 12651971
(7S,8R)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7,8-diol
CID 12996468
2-(1-cyclopropyl-1-hydroxyethyl)-6-methoxyphenol
CID 118899137
2-(2,6-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 116811017

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,6R)-6-(2,6-dimethoxyphenyl)-4-methylcyclohex-3-en-1-yl]propan-2-ol?
The IUPAC name of 2-[(1R,6R)-6-(2,6-dimethoxyphenyl)-4-methylcyclohex-3-en-1-yl]propan-2-ol (CID 46844981) is 2-[(1R,6R)-6-(2,6-dimethoxyphenyl)-4-methylcyclohex-3-en-1-yl]propan-2-ol.
What is the SMILES notation for 2-[(1R,6R)-6-(2,6-dimethoxyphenyl)-4-methylcyclohex-3-en-1-yl]propan-2-ol?
The canonical SMILES for 2-[(1R,6R)-6-(2,6-dimethoxyphenyl)-4-methylcyclohex-3-en-1-yl]propan-2-ol is COc1cccc(OC)c1[C@@H]1CC(C)=CC[C@H]1C(C)(C)O.
What is the InChIKey of 2-[(1R,6R)-6-(2,6-dimethoxyphenyl)-4-methylcyclohex-3-en-1-yl]propan-2-ol?
The InChIKey is PAQJFFYWSXDVDI-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H26O3/c1-12-9-10-14(18(2,3)19)13(11-12)17-15(20-4)7-6-8-16(17)21-5/h6-9,13-14,19H,10-11H2,1-5H3/t13-,14-/m1/s1.
What are the key properties of 2-[(1R,6R)-6-(2,6-dimethoxyphenyl)-4-methylcyclohex-3-en-1-yl]propan-2-ol?
2-[(1R,6R)-6-(2,6-dimethoxyphenyl)-4-methylcyclohex-3-en-1-yl]propan-2-ol has a molecular weight of 290.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,6R)-6-(2,6-dimethoxyphenyl)-4-methylcyclohex-3-en-1-yl]propan-2-ol is sourced from PubChem (CID 46844981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).