4-(3-methoxyphenyl)-1,2,3,4,4a,8a-hexahydronaphthalen-2-ol

C17H20O2 — CID 67978982

IUPAC4-(3-methoxyphenyl)-1,2,3,4,4a,8a-hexahydronaphthalen-2-ol
SMILESCOc1cccc(C2CC(O)CC3C=CC=CC32)c1
InChIInChI=1S/C17H20O2/c1-19-15-7-4-6-13(10-15)17-11-14(18)9-12-5-2-3-8-16(12)17/h2-8,10,12,14,16-18H,9,11H2,1H3
InChIKeyJREVMWJCHMAZLV-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.29
Rot. Bonds2

About 4-(3-methoxyphenyl)-1,2,3,4,4a,8a-hexahydronaphthalen-2-ol

4-(3-methoxyphenyl)-1,2,3,4,4a,8a-hexahydronaphthalen-2-ol (PubChem CID 67978982) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-1,2,3,4,4a,8a-hexahydronaphthalen-2-ol.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-1,2,3,4,4a,8a-hexahydronaphthalen-2-ol
PubChem CID67978982
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name4-(3-methoxyphenyl)-1,2,3,4,4a,8a-hexahydronaphthalen-2-ol
SMILESCOc1cccc(C2CC(O)CC3C=CC=CC32)c1
InChIInChI=1S/C17H20O2/c1-19-15-7-4-6-13(10-15)17-11-14(18)9-12-5-2-3-8-16(12)17/h2-8,10,12,14,16-18H,9,11H2,1H3
InChIKeyJREVMWJCHMAZLV-UHFFFAOYSA-N
XLogP3.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3-methoxyphenyl)-1,2,3,4,4a,8a-hexahydronaphthalen-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-1,2,3,4,4a,8a-hexahydronaphthalen-2-ol?
The IUPAC name of 4-(3-methoxyphenyl)-1,2,3,4,4a,8a-hexahydronaphthalen-2-ol (CID 67978982) is 4-(3-methoxyphenyl)-1,2,3,4,4a,8a-hexahydronaphthalen-2-ol.
What is the SMILES notation for 4-(3-methoxyphenyl)-1,2,3,4,4a,8a-hexahydronaphthalen-2-ol?
The canonical SMILES for 4-(3-methoxyphenyl)-1,2,3,4,4a,8a-hexahydronaphthalen-2-ol is COc1cccc(C2CC(O)CC3C=CC=CC32)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-1,2,3,4,4a,8a-hexahydronaphthalen-2-ol?
The InChIKey is JREVMWJCHMAZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-19-15-7-4-6-13(10-15)17-11-14(18)9-12-5-2-3-8-16(12)17/h2-8,10,12,14,16-18H,9,11H2,1H3.
What are the key properties of 4-(3-methoxyphenyl)-1,2,3,4,4a,8a-hexahydronaphthalen-2-ol?
4-(3-methoxyphenyl)-1,2,3,4,4a,8a-hexahydronaphthalen-2-ol has a molecular weight of 256.35 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-1,2,3,4,4a,8a-hexahydronaphthalen-2-ol is sourced from PubChem (CID 67978982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).