1-(4-cyclopropylphenyl)-3-methylbut-2-en-1-ol

C14H18O — CID 79980252

IUPAC1-(4-cyclopropylphenyl)-3-methylbut-2-en-1-ol
SMILESCC(C)=CC(O)c1ccc(C2CC2)cc1
InChIInChI=1S/C14H18O/c1-10(2)9-14(15)13-7-5-12(6-8-13)11-3-4-11/h5-9,11,14-15H,3-4H2,1-2H3
InChIKeyQPVWDEKFSYHFCX-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.56
Rot. Bonds3

About 1-(4-cyclopropylphenyl)-3-methylbut-2-en-1-ol

1-(4-cyclopropylphenyl)-3-methylbut-2-en-1-ol (PubChem CID 79980252) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)-3-methylbut-2-en-1-ol.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)-3-methylbut-2-en-1-ol
PubChem CID79980252
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-(4-cyclopropylphenyl)-3-methylbut-2-en-1-ol
SMILESCC(C)=CC(O)c1ccc(C2CC2)cc1
InChIInChI=1S/C14H18O/c1-10(2)9-14(15)13-7-5-12(6-8-13)11-3-4-11/h5-9,11,14-15H,3-4H2,1-2H3
InChIKeyQPVWDEKFSYHFCX-UHFFFAOYSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.56
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-methyl-1-pyridin-4-ylbut-2-en-1-ol
CID 79190562
(4-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128111
1-(4-cyclopropylphenyl)ethanamine
CID 55211304
(R)-(4-cyclopropylphenyl)-thiophen-3-ylmethanol
CID 124512337
1-(3,4-dichlorophenyl)-3-methylbut-2-en-1-ol
CID 79191000
(4-cyclopropylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 82819234
1-(4-cyclopropylphenyl)octan-1-ol
CID 79980004
1-(4-cyclopropylphenyl)-2-(4-iodophenyl)ethanol
CID 79981039
(4-cyclopropylphenyl)-(5-methylthiophen-2-yl)methanol
CID 79980013
2-(4-cyclobutylphenyl)propanoic acid
CID 116506632
2-(4-cyclopropylphenyl)-2-(methylamino)ethanol
CID 79980509
(4-cyclohexylphenyl)-(4-iodophenyl)methanol
CID 63427013

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)-3-methylbut-2-en-1-ol?
The IUPAC name of 1-(4-cyclopropylphenyl)-3-methylbut-2-en-1-ol (CID 79980252) is 1-(4-cyclopropylphenyl)-3-methylbut-2-en-1-ol.
What is the SMILES notation for 1-(4-cyclopropylphenyl)-3-methylbut-2-en-1-ol?
The canonical SMILES for 1-(4-cyclopropylphenyl)-3-methylbut-2-en-1-ol is CC(C)=CC(O)c1ccc(C2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropylphenyl)-3-methylbut-2-en-1-ol?
The InChIKey is QPVWDEKFSYHFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-10(2)9-14(15)13-7-5-12(6-8-13)11-3-4-11/h5-9,11,14-15H,3-4H2,1-2H3.
What are the key properties of 1-(4-cyclopropylphenyl)-3-methylbut-2-en-1-ol?
1-(4-cyclopropylphenyl)-3-methylbut-2-en-1-ol has a molecular weight of 202.30 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylphenyl)-3-methylbut-2-en-1-ol is sourced from PubChem (CID 79980252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).