(Z)-3-cyclopropyl-3-(4-methylphenyl)prop-2-en-1-ol

C13H16O — CID 115017596

IUPAC(Z)-3-cyclopropyl-3-(4-methylphenyl)prop-2-en-1-ol
SMILESCc1ccc(/C(=C\CO)C2CC2)cc1
InChIInChI=1S/C13H16O/c1-10-2-4-11(5-3-10)13(8-9-14)12-6-7-12/h2-5,8,12,14H,6-7,9H2,1H3/b13-8+
InChIKeyNHFDYBYNFLHHDK-MDWZMJQESA-N
MW188.27 g/mol
LogP2.78
Rot. Bonds3

About (Z)-3-cyclopropyl-3-(4-methylphenyl)prop-2-en-1-ol

(Z)-3-cyclopropyl-3-(4-methylphenyl)prop-2-en-1-ol (PubChem CID 115017596) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (Z)-3-cyclopropyl-3-(4-methylphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-cyclopropyl-3-(4-methylphenyl)prop-2-en-1-ol
PubChem CID115017596
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(Z)-3-cyclopropyl-3-(4-methylphenyl)prop-2-en-1-ol
SMILESCc1ccc(/C(=C\CO)C2CC2)cc1
InChIInChI=1S/C13H16O/c1-10-2-4-11(5-3-10)13(8-9-14)12-6-7-12/h2-5,8,12,14H,6-7,9H2,1H3/b13-8+
InChIKeyNHFDYBYNFLHHDK-MDWZMJQESA-N
XLogP2.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-3-(3-chlorophenyl)-3-cyclopropylprop-2-en-1-ol
CID 115026219
1-chloro-4-[(E)-3-chloro-1-cyclopropylprop-1-enyl]benzene
CID 19754823
(2E,4Z)-3-(4-methylphenyl)hepta-2,4,6-trien-1-ol
CID 143644627
1-bromo-4-[3-[3-(4-bromophenyl)-3-cyclopropylprop-2-enoxy]-1-cyclopropylprop-1-enyl]benzene
CID 141494088
(Z)-3-(4-iodophenyl)-3-(4-methylphenyl)prop-2-en-1-ol
CID 19261799
(E)-3-(4-iodophenyl)-3-(4-methylphenyl)prop-2-en-1-ol
CID 67145582
2-[1-(4-methylphenyl)-4-propylhept-1-enyl]-2,3-dihydro-1H-indene
CID 57164602
(E)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
CID 19261685
1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene
CID 169013280
[(E)-4-hydroxy-2-(4-methylphenyl)but-2-enyl] acetate
CID 177451018
4-[4-[3-[3-[4-(4-cyanophenyl)phenyl]-3-(4-propylcyclohexyl)prop-2-enoxy]-1-(4-propylcyclohexyl)prop-1-enyl]phenyl]benzonitrile
CID 67863775
(E)-3-cyclopropyl-3-(2,4-dimethylphenyl)prop-2-enoic acid
CID 82048785

Frequently Asked Questions

What is the IUPAC name of (Z)-3-cyclopropyl-3-(4-methylphenyl)prop-2-en-1-ol?
The IUPAC name of (Z)-3-cyclopropyl-3-(4-methylphenyl)prop-2-en-1-ol (CID 115017596) is (Z)-3-cyclopropyl-3-(4-methylphenyl)prop-2-en-1-ol.
What is the SMILES notation for (Z)-3-cyclopropyl-3-(4-methylphenyl)prop-2-en-1-ol?
The canonical SMILES for (Z)-3-cyclopropyl-3-(4-methylphenyl)prop-2-en-1-ol is Cc1ccc(/C(=C\CO)C2CC2)cc1.
What is the InChIKey of (Z)-3-cyclopropyl-3-(4-methylphenyl)prop-2-en-1-ol?
The InChIKey is NHFDYBYNFLHHDK-MDWZMJQESA-N. The full InChI is InChI=1S/C13H16O/c1-10-2-4-11(5-3-10)13(8-9-14)12-6-7-12/h2-5,8,12,14H,6-7,9H2,1H3/b13-8+.
What are the key properties of (Z)-3-cyclopropyl-3-(4-methylphenyl)prop-2-en-1-ol?
(Z)-3-cyclopropyl-3-(4-methylphenyl)prop-2-en-1-ol has a molecular weight of 188.27 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyclopropyl-3-(4-methylphenyl)prop-2-en-1-ol is sourced from PubChem (CID 115017596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).