5-(3-methylphenyl)bicyclo[2.2.1]hept-2-en-7-ol

C14H16O — CID 155012096

IUPAC5-(3-methylphenyl)bicyclo[2.2.1]hept-2-en-7-ol
SMILESCc1cccc(C2CC3C=CC2C3O)c1
InChIInChI=1S/C14H16O/c1-9-3-2-4-10(7-9)13-8-11-5-6-12(13)14(11)15/h2-7,11-15H,8H2,1H3
InChIKeyYVDBHPBDUMCOBB-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.65
Rot. Bonds1

About 5-(3-methylphenyl)bicyclo[2.2.1]hept-2-en-7-ol

5-(3-methylphenyl)bicyclo[2.2.1]hept-2-en-7-ol (PubChem CID 155012096) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-(3-methylphenyl)bicyclo[2.2.1]hept-2-en-7-ol.

Molecular Properties

Compound Name5-(3-methylphenyl)bicyclo[2.2.1]hept-2-en-7-ol
PubChem CID155012096
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name5-(3-methylphenyl)bicyclo[2.2.1]hept-2-en-7-ol
SMILESCc1cccc(C2CC3C=CC2C3O)c1
InChIInChI=1S/C14H16O/c1-9-3-2-4-10(7-9)13-8-11-5-6-12(13)14(11)15/h2-7,11-15H,8H2,1H3
InChIKeyYVDBHPBDUMCOBB-UHFFFAOYSA-N
XLogP2.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.65
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

trans-(1S,2R)-2-(3-methylphenyl)cyclohexan-1-ol
CID 36688903
trans-(1R,2S)-2-(3-methylphenyl)cyclopropan-1-amine;hydrochloride
CID 170914369
trans-(1S,2S)-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 28912189
1-methyl-3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzene
CID 102579240
1-methyl-3-[(1S,2R)-2-methylcyclopentyl]benzene
CID 58641993
N-methyl-2-(3-methylphenyl)cyclopropan-1-amine
CID 83694830
(1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethanamine
CID 28912202
6-(3-methylphenyl)-3-azabicyclo[3.2.0]heptane
CID 19963580
2-[2-(3-methylphenyl)cyclopropyl]propanamide
CID 67553478
N-[2-(3-methylphenyl)cyclopropyl]formamide
CID 154132778
[(3R,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol
CID 98006633
[(3S,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol
CID 25220548

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)bicyclo[2.2.1]hept-2-en-7-ol?
The IUPAC name of 5-(3-methylphenyl)bicyclo[2.2.1]hept-2-en-7-ol (CID 155012096) is 5-(3-methylphenyl)bicyclo[2.2.1]hept-2-en-7-ol.
What is the SMILES notation for 5-(3-methylphenyl)bicyclo[2.2.1]hept-2-en-7-ol?
The canonical SMILES for 5-(3-methylphenyl)bicyclo[2.2.1]hept-2-en-7-ol is Cc1cccc(C2CC3C=CC2C3O)c1.
What is the InChIKey of 5-(3-methylphenyl)bicyclo[2.2.1]hept-2-en-7-ol?
The InChIKey is YVDBHPBDUMCOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-9-3-2-4-10(7-9)13-8-11-5-6-12(13)14(11)15/h2-7,11-15H,8H2,1H3.
What are the key properties of 5-(3-methylphenyl)bicyclo[2.2.1]hept-2-en-7-ol?
5-(3-methylphenyl)bicyclo[2.2.1]hept-2-en-7-ol has a molecular weight of 200.28 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)bicyclo[2.2.1]hept-2-en-7-ol is sourced from PubChem (CID 155012096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).