cyclohept-2-en-1-yl-(4-methylphenyl)methanol

C15H20O — CID 2754969

IUPACcyclohept-2-en-1-yl-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)C2C=CCCCC2)cc1
InChIInChI=1S/C15H20O/c1-12-8-10-14(11-9-12)15(16)13-6-4-2-3-5-7-13/h4,6,8-11,13,15-16H,2-3,5,7H2,1H3
InChIKeyYMURIQGXBNFLRG-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.77
Rot. Bonds2

About cyclohept-2-en-1-yl-(4-methylphenyl)methanol

cyclohept-2-en-1-yl-(4-methylphenyl)methanol (PubChem CID 2754969) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is cyclohept-2-en-1-yl-(4-methylphenyl)methanol.

Molecular Properties

Compound Namecyclohept-2-en-1-yl-(4-methylphenyl)methanol
PubChem CID2754969
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Namecyclohept-2-en-1-yl-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)C2C=CCCCC2)cc1
InChIInChI=1S/C15H20O/c1-12-8-10-14(11-9-12)15(16)13-6-4-2-3-5-7-13/h4,6,8-11,13,15-16H,2-3,5,7H2,1H3
InChIKeyYMURIQGXBNFLRG-UHFFFAOYSA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cyclohept-2-en-1-yl-(4-methylphenyl)methanol 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

[(2Z)-cyclooct-2-en-1-yl]-(4-iodophenyl)methanol
CID 15466422
(S)-[(1S)-cyclohex-2-en-1-yl]-phenylmethanol
CID 7057143
(R)-[(1S)-cyclohex-2-en-1-yl]-(furan-3-yl)methanol
CID 132573813
1-[3-[(R)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]phenyl]ethanone
CID 164671376
(1S)-1-[(1S,2Z)-cyclonon-2-en-1-yl]propan-1-ol
CID 11030459
cyclopropyl-[4-(4-methylphenyl)phenyl]methanol
CID 175668827
(1S,2S)-1,2-bis[(1R)-cyclohex-2-en-1-yl]ethane-1,2-diol
CID 10900215
[(1R)-cyclohex-2-en-1-yl]methanediol;ethane
CID 143031665
(R)-[(1S)-cyclohex-2-en-1-yl]-thiophen-2-ylmethanol
CID 24809226
(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 39238470
(2R)-2-[(S)-hydroxy-(4-methylphenyl)methyl]cyclododecan-1-one
CID 139176180
ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 142507494

Frequently Asked Questions

What is the IUPAC name of cyclohept-2-en-1-yl-(4-methylphenyl)methanol?
The IUPAC name of cyclohept-2-en-1-yl-(4-methylphenyl)methanol (CID 2754969) is cyclohept-2-en-1-yl-(4-methylphenyl)methanol.
What is the SMILES notation for cyclohept-2-en-1-yl-(4-methylphenyl)methanol?
The canonical SMILES for cyclohept-2-en-1-yl-(4-methylphenyl)methanol is Cc1ccc(C(O)C2C=CCCCC2)cc1.
What is the InChIKey of cyclohept-2-en-1-yl-(4-methylphenyl)methanol?
The InChIKey is YMURIQGXBNFLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-12-8-10-14(11-9-12)15(16)13-6-4-2-3-5-7-13/h4,6,8-11,13,15-16H,2-3,5,7H2,1H3.
What are the key properties of cyclohept-2-en-1-yl-(4-methylphenyl)methanol?
cyclohept-2-en-1-yl-(4-methylphenyl)methanol has a molecular weight of 216.32 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohept-2-en-1-yl-(4-methylphenyl)methanol is sourced from PubChem (CID 2754969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).