3-[(2-methylphenyl)methyl]cyclohex-2-en-1-ol

C14H18O — CID 65172216

IUPAC3-[(2-methylphenyl)methyl]cyclohex-2-en-1-ol
SMILESCc1ccccc1CC1=CC(O)CCC1
InChIInChI=1S/C14H18O/c1-11-5-2-3-7-13(11)9-12-6-4-8-14(15)10-12/h2-3,5,7,10,14-15H,4,6,8-9H2,1H3
InChIKeyKWVOUFYNIOATKJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.01
Rot. Bonds2

About 3-[(2-methylphenyl)methyl]cyclohex-2-en-1-ol

3-[(2-methylphenyl)methyl]cyclohex-2-en-1-ol (PubChem CID 65172216) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-[(2-methylphenyl)methyl]cyclohex-2-en-1-ol
PubChem CID65172216
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name3-[(2-methylphenyl)methyl]cyclohex-2-en-1-ol
SMILESCc1ccccc1CC1=CC(O)CCC1
InChIInChI=1S/C14H18O/c1-11-5-2-3-7-13(11)9-12-6-4-8-14(15)10-12/h2-3,5,7,10,14-15H,4,6,8-9H2,1H3
InChIKeyKWVOUFYNIOATKJ-UHFFFAOYSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chloro-6-fluorophenyl)methyl]cyclohex-2-en-1-ol
CID 65176934
1-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylbenzene
CID 123396097
2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117155703
6-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 63461795
3-(2-methylphenyl)cyclopent-2-en-1-ol
CID 65174603
trans-(1R,2R)-2-[methyl-[(2-methylphenyl)methyl]amino]cyclopentan-1-ol
CID 102734447
1-methyl-4-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridine
CID 14743021
trans-(1S,2S)-2-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-ol
CID 102735724
[1-[3-methyl-4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]methanol
CID 67085949
3-(3-ethylsulfonylpropyl)cyclohex-2-en-1-ol
CID 65177264
1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
[4-[(2-methylphenyl)methyl]phenyl]methanol
CID 22408263

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methyl]cyclohex-2-en-1-ol?
The IUPAC name of 3-[(2-methylphenyl)methyl]cyclohex-2-en-1-ol (CID 65172216) is 3-[(2-methylphenyl)methyl]cyclohex-2-en-1-ol.
What is the SMILES notation for 3-[(2-methylphenyl)methyl]cyclohex-2-en-1-ol?
The canonical SMILES for 3-[(2-methylphenyl)methyl]cyclohex-2-en-1-ol is Cc1ccccc1CC1=CC(O)CCC1.
What is the InChIKey of 3-[(2-methylphenyl)methyl]cyclohex-2-en-1-ol?
The InChIKey is KWVOUFYNIOATKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-11-5-2-3-7-13(11)9-12-6-4-8-14(15)10-12/h2-3,5,7,10,14-15H,4,6,8-9H2,1H3.
What are the key properties of 3-[(2-methylphenyl)methyl]cyclohex-2-en-1-ol?
3-[(2-methylphenyl)methyl]cyclohex-2-en-1-ol has a molecular weight of 202.30 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 65172216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).