2-[(1-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol

C17H24O2 — CID 79424384

IUPAC2-[(1-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1c2ccccc2CCC1CC1(O)CCCCC1
InChIInChI=1S/C17H24O2/c18-16-14(12-17(19)10-4-1-5-11-17)9-8-13-6-2-3-7-15(13)16/h2-3,6-7,14,16,18-19H,1,4-5,8-12H2
InChIKeyICZMMVDIXKIFGP-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.37
Rot. Bonds2

About 2-[(1-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol

2-[(1-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 79424384) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[(1-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-[(1-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID79424384
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2-[(1-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1c2ccccc2CCC1CC1(O)CCCCC1
InChIInChI=1S/C17H24O2/c18-16-14(12-17(19)10-4-1-5-11-17)9-8-13-6-2-3-7-15(13)16/h2-3,6-7,14,16,18-19H,1,4-5,8-12H2
InChIKeyICZMMVDIXKIFGP-UHFFFAOYSA-N
XLogP3.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(1-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-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 2-[(1-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-[(1-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol (CID 79424384) is 2-[(1-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-[(1-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-[(1-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol is OC1c2ccccc2CCC1CC1(O)CCCCC1.
What is the InChIKey of 2-[(1-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is ICZMMVDIXKIFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c18-16-14(12-17(19)10-4-1-5-11-17)9-8-13-6-2-3-7-15(13)16/h2-3,6-7,14,16,18-19H,1,4-5,8-12H2.
What are the key properties of 2-[(1-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol?
2-[(1-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 260.38 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 79424384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).