6-[(4-methoxyphenyl)methyl]bicyclo[3.1.0]hexan-6-ol

C14H18O2 — CID 79331242

IUPAC6-[(4-methoxyphenyl)methyl]bicyclo[3.1.0]hexan-6-ol
SMILESCOc1ccc(CC2(O)C3CCCC32)cc1
InChIInChI=1S/C14H18O2/c1-16-11-7-5-10(6-8-11)9-14(15)12-3-2-4-13(12)14/h5-8,12-13,15H,2-4,9H2,1H3
InChIKeyMROIEYRFVFPCSB-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.40
Rot. Bonds3

About 6-[(4-methoxyphenyl)methyl]bicyclo[3.1.0]hexan-6-ol

6-[(4-methoxyphenyl)methyl]bicyclo[3.1.0]hexan-6-ol (PubChem CID 79331242) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methyl]bicyclo[3.1.0]hexan-6-ol.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methyl]bicyclo[3.1.0]hexan-6-ol
PubChem CID79331242
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name6-[(4-methoxyphenyl)methyl]bicyclo[3.1.0]hexan-6-ol
SMILESCOc1ccc(CC2(O)C3CCCC32)cc1
InChIInChI=1S/C14H18O2/c1-16-11-7-5-10(6-8-11)9-14(15)12-3-2-4-13(12)14/h5-8,12-13,15H,2-4,9H2,1H3
InChIKeyMROIEYRFVFPCSB-UHFFFAOYSA-N
XLogP2.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[(4-methoxyphenyl)methyl]bicyclo[3.1.0]hexan-6-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

3-[(4-methoxyphenyl)methyl]oxetan-3-ol
CID 83685421
3-[(4-methoxyphenyl)methyl]azetidin-3-ol
CID 83685225
7-(4-methoxyphenyl)bicyclo[4.1.0]heptan-7-ol
CID 79331888
1-methoxy-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene
CID 70921631
1-[2-(4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-ol
CID 103564336
9-[2-(4-methoxyphenyl)ethyl]bicyclo[6.1.0]nonan-1-ol
CID 78144176
2-(4-methoxyphenyl)-1-(2-methylcyclopentyl)ethanol
CID 107183403
(1S,6R)-1-[(4-methoxyphenyl)methyl]-3-methylbicyclo[4.1.0]heptane
CID 177443332
7-[(3,4-dichlorophenyl)methyl]bicyclo[4.1.0]heptan-7-ol
CID 79331257
cycloheptane;(4-methoxyphenyl)methanol
CID 142801335
1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride
CID 75361270
6-[(3-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-ol
CID 79331771

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methyl]bicyclo[3.1.0]hexan-6-ol?
The IUPAC name of 6-[(4-methoxyphenyl)methyl]bicyclo[3.1.0]hexan-6-ol (CID 79331242) is 6-[(4-methoxyphenyl)methyl]bicyclo[3.1.0]hexan-6-ol.
What is the SMILES notation for 6-[(4-methoxyphenyl)methyl]bicyclo[3.1.0]hexan-6-ol?
The canonical SMILES for 6-[(4-methoxyphenyl)methyl]bicyclo[3.1.0]hexan-6-ol is COc1ccc(CC2(O)C3CCCC32)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methyl]bicyclo[3.1.0]hexan-6-ol?
The InChIKey is MROIEYRFVFPCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-16-11-7-5-10(6-8-11)9-14(15)12-3-2-4-13(12)14/h5-8,12-13,15H,2-4,9H2,1H3.
What are the key properties of 6-[(4-methoxyphenyl)methyl]bicyclo[3.1.0]hexan-6-ol?
6-[(4-methoxyphenyl)methyl]bicyclo[3.1.0]hexan-6-ol has a molecular weight of 218.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methyl]bicyclo[3.1.0]hexan-6-ol is sourced from PubChem (CID 79331242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).