4-[4-(hydroxymethyl)-1-methylcyclohexyl]phenol

C14H20O2 — CID 166817509

IUPAC4-[4-(hydroxymethyl)-1-methylcyclohexyl]phenol
SMILESCC1(c2ccc(O)cc2)CCC(CO)CC1
InChIInChI=1S/C14H20O2/c1-14(8-6-11(10-15)7-9-14)12-2-4-13(16)5-3-12/h2-5,11,15-16H,6-10H2,1H3
InChIKeyGDJVMTOJOVQILS-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.83
Rot. Bonds2

About 4-[4-(hydroxymethyl)-1-methylcyclohexyl]phenol

4-[4-(hydroxymethyl)-1-methylcyclohexyl]phenol (PubChem CID 166817509) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)-1-methylcyclohexyl]phenol.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)-1-methylcyclohexyl]phenol
PubChem CID166817509
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name4-[4-(hydroxymethyl)-1-methylcyclohexyl]phenol
SMILESCC1(c2ccc(O)cc2)CCC(CO)CC1
InChIInChI=1S/C14H20O2/c1-14(8-6-11(10-15)7-9-14)12-2-4-13(16)5-3-12/h2-5,11,15-16H,6-10H2,1H3
InChIKeyGDJVMTOJOVQILS-UHFFFAOYSA-N
XLogP2.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)-1-methylcyclohexyl]phenol?
The IUPAC name of 4-[4-(hydroxymethyl)-1-methylcyclohexyl]phenol (CID 166817509) is 4-[4-(hydroxymethyl)-1-methylcyclohexyl]phenol.
What is the SMILES notation for 4-[4-(hydroxymethyl)-1-methylcyclohexyl]phenol?
The canonical SMILES for 4-[4-(hydroxymethyl)-1-methylcyclohexyl]phenol is CC1(c2ccc(O)cc2)CCC(CO)CC1.
What is the InChIKey of 4-[4-(hydroxymethyl)-1-methylcyclohexyl]phenol?
The InChIKey is GDJVMTOJOVQILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-14(8-6-11(10-15)7-9-14)12-2-4-13(16)5-3-12/h2-5,11,15-16H,6-10H2,1H3.
What are the key properties of 4-[4-(hydroxymethyl)-1-methylcyclohexyl]phenol?
4-[4-(hydroxymethyl)-1-methylcyclohexyl]phenol has a molecular weight of 220.31 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)-1-methylcyclohexyl]phenol is sourced from PubChem (CID 166817509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).