cyclohex-3-en-1-yl-(3-propylphenyl)methanol

C16H22O — CID 116542536

IUPACcyclohex-3-en-1-yl-(3-propylphenyl)methanol
SMILESCCCc1cccc(C(O)C2CC=CCC2)c1
InChIInChI=1S/C16H22O/c1-2-7-13-8-6-11-15(12-13)16(17)14-9-4-3-5-10-14/h3-4,6,8,11-12,14,16-17H,2,5,7,9-10H2,1H3
InChIKeyZWESREBYWJEPPH-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.03
Rot. Bonds4

About cyclohex-3-en-1-yl-(3-propylphenyl)methanol

cyclohex-3-en-1-yl-(3-propylphenyl)methanol (PubChem CID 116542536) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-(3-propylphenyl)methanol.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-(3-propylphenyl)methanol
PubChem CID116542536
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Namecyclohex-3-en-1-yl-(3-propylphenyl)methanol
SMILESCCCc1cccc(C(O)C2CC=CCC2)c1
InChIInChI=1S/C16H22O/c1-2-7-13-8-6-11-15(12-13)16(17)14-9-4-3-5-10-14/h3-4,6,8,11-12,14,16-17H,2,5,7,9-10H2,1H3
InChIKeyZWESREBYWJEPPH-UHFFFAOYSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.03
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-propylphenyl)-pyrrolidin-2-ylmethanol
CID 106640142
cyclohex-3-en-1-yl-(3,4-dimethylphenyl)methanol
CID 63900775
cyclohex-3-en-1-yl-(3,4-diethoxyphenyl)methanol
CID 63900983
(2-phenylcyclopropyl)-(3-propylphenyl)methanol
CID 115838097
cyclohex-3-en-1-yl(pyridin-3-yl)methanol
CID 63899340
4-[fluoro-(3-propylphenyl)methyl]piperidine
CID 116546553
cyclohex-3-en-1-yl-(1-propylpyrazol-4-yl)methanol
CID 63901804
cyclohex-3-en-1-yl(naphthalen-1-yl)methanol
CID 63900357
cyclohex-3-en-1-yl-(5-methylthiophen-3-yl)methanol
CID 65100027
2-methoxy-1-(3-propylphenyl)butan-1-ol
CID 116710935
(3-propylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105188014
N-[cyclooctyl-(3-propylphenyl)methyl]ethanamine
CID 116544896

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-(3-propylphenyl)methanol?
The IUPAC name of cyclohex-3-en-1-yl-(3-propylphenyl)methanol (CID 116542536) is cyclohex-3-en-1-yl-(3-propylphenyl)methanol.
What is the SMILES notation for cyclohex-3-en-1-yl-(3-propylphenyl)methanol?
The canonical SMILES for cyclohex-3-en-1-yl-(3-propylphenyl)methanol is CCCc1cccc(C(O)C2CC=CCC2)c1.
What is the InChIKey of cyclohex-3-en-1-yl-(3-propylphenyl)methanol?
The InChIKey is ZWESREBYWJEPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-2-7-13-8-6-11-15(12-13)16(17)14-9-4-3-5-10-14/h3-4,6,8,11-12,14,16-17H,2,5,7,9-10H2,1H3.
What are the key properties of cyclohex-3-en-1-yl-(3-propylphenyl)methanol?
cyclohex-3-en-1-yl-(3-propylphenyl)methanol has a molecular weight of 230.35 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-(3-propylphenyl)methanol is sourced from PubChem (CID 116542536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).