(1S,8R)-4-ethyl-6-methoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraen-3-ol

C15H18O2 — CID 10998815

IUPAC(1S,8R)-4-ethyl-6-methoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraen-3-ol
SMILESCCc1cc(OC)c2c(c1O)[C@@H]1C=C[C@H]2CC1
InChIInChI=1S/C15H18O2/c1-3-9-8-12(17-2)13-10-4-6-11(7-5-10)14(13)15(9)16/h4,6,8,10-11,16H,3,5,7H2,1-2H3/t10-,11+/m0/s1
InChIKeyFZEXDMDQLBLWEN-WDEREUQCSA-N
MW230.31 g/mol
LogP3.49
Rot. Bonds2

About (1S,8R)-4-ethyl-6-methoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraen-3-ol

(1S,8R)-4-ethyl-6-methoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraen-3-ol (PubChem CID 10998815) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (1S,8R)-4-ethyl-6-methoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraen-3-ol.

Molecular Properties

Compound Name(1S,8R)-4-ethyl-6-methoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraen-3-ol
PubChem CID10998815
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(1S,8R)-4-ethyl-6-methoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraen-3-ol
SMILESCCc1cc(OC)c2c(c1O)[C@@H]1C=C[C@H]2CC1
InChIInChI=1S/C15H18O2/c1-3-9-8-12(17-2)13-10-4-6-11(7-5-10)14(13)15(9)16/h4,6,8,10-11,16H,3,5,7H2,1-2H3/t10-,11+/m0/s1
InChIKeyFZEXDMDQLBLWEN-WDEREUQCSA-N
XLogP3.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,8R)-4-ethyl-6-methoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraen-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,8R)-3,6-dimethoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene
CID 98162391
2-ethyl-6-methoxy-4-methylphenol
CID 23597037
2-bromo-6-ethyl-3,4-dimethoxyphenol
CID 84710445
2,5-diethyl-4-methoxyphenol
CID 162375149
(2-ethyl-4,5-dimethoxyphenyl)methanol
CID 14094580
4-ethenyl-2-ethyl-6-methoxyphenol
CID 175119671
2-[1-(aminomethyl)cyclopropyl]-3-bromo-4-ethyl-6-methoxyphenol
CID 117483377
3-bromo-4-ethyl-2-(hydroxymethyl)-6-methoxyphenol
CID 84710429
2-bromo-3-ethyl-6-hydroxy-5-methoxybenzoic acid
CID 84714045
methyl 2-amino-3-ethyl-6-hydroxy-5-methoxybenzoate
CID 84790003
2-(2-aminopropan-2-yl)-3-bromo-4-ethyl-6-methoxyphenol
CID 117465351
1-chloro-4-ethyl-2,5-dimethoxybenzene
CID 71132798

Frequently Asked Questions

What is the IUPAC name of (1S,8R)-4-ethyl-6-methoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraen-3-ol?
The IUPAC name of (1S,8R)-4-ethyl-6-methoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraen-3-ol (CID 10998815) is (1S,8R)-4-ethyl-6-methoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraen-3-ol.
What is the SMILES notation for (1S,8R)-4-ethyl-6-methoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraen-3-ol?
The canonical SMILES for (1S,8R)-4-ethyl-6-methoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraen-3-ol is CCc1cc(OC)c2c(c1O)[C@@H]1C=C[C@H]2CC1.
What is the InChIKey of (1S,8R)-4-ethyl-6-methoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraen-3-ol?
The InChIKey is FZEXDMDQLBLWEN-WDEREUQCSA-N. The full InChI is InChI=1S/C15H18O2/c1-3-9-8-12(17-2)13-10-4-6-11(7-5-10)14(13)15(9)16/h4,6,8,10-11,16H,3,5,7H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of (1S,8R)-4-ethyl-6-methoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraen-3-ol?
(1S,8R)-4-ethyl-6-methoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraen-3-ol has a molecular weight of 230.31 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-4-ethyl-6-methoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraen-3-ol is sourced from PubChem (CID 10998815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).