(Z)-3-methyl-2-(4-methylphenyl)pent-1-en-1-ol

C13H18O — CID 177405347

IUPAC(Z)-3-methyl-2-(4-methylphenyl)pent-1-en-1-ol
SMILESCCC(C)/C(=C/O)c1ccc(C)cc1
InChIInChI=1S/C13H18O/c1-4-11(3)13(9-14)12-7-5-10(2)6-8-12/h5-9,11,14H,4H2,1-3H3/b13-9-
InChIKeySPNGHXLEZRCKOF-LCYFTJDESA-N
MW190.29 g/mol
LogP3.94
Rot. Bonds3

About (Z)-3-methyl-2-(4-methylphenyl)pent-1-en-1-ol

(Z)-3-methyl-2-(4-methylphenyl)pent-1-en-1-ol (PubChem CID 177405347) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (Z)-3-methyl-2-(4-methylphenyl)pent-1-en-1-ol.

Molecular Properties

Compound Name(Z)-3-methyl-2-(4-methylphenyl)pent-1-en-1-ol
PubChem CID177405347
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(Z)-3-methyl-2-(4-methylphenyl)pent-1-en-1-ol
SMILESCCC(C)/C(=C/O)c1ccc(C)cc1
InChIInChI=1S/C13H18O/c1-4-11(3)13(9-14)12-7-5-10(2)6-8-12/h5-9,11,14H,4H2,1-3H3/b13-9-
InChIKeySPNGHXLEZRCKOF-LCYFTJDESA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(E)-4-methylhex-2-en-3-yl]benzene
CID 12531537
ethane;[(E)-4-methylhex-2-en-3-yl]benzene
CID 167452677
1-methyl-4-[(3R)-2-methylpentan-3-yl]benzene
CID 176819628
(E)-4-methyl-3-(4-methylphenyl)pent-2-enenitrile
CID 177228178
4-[4-(4-methylphenyl)hexan-3-yl]phenol
CID 3847836
2-[methyl(pentan-3-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 43796890
2-(ethylamino)-1-(4-methylphenyl)butan-1-one
CID 91698934
1-methyl-4-[4-methyl-1-(4-methylphenyl)pent-1-enyl]benzene
CID 21107287
ethyl 3-hydroxy-2-(4-methylphenyl)prop-2-enoate
CID 71440543
butan-2-yl 4-methylbenzoate;ethane
CID 157040400
2-[[1-(4-methylphenyl)-1-oxopropan-2-yl]amino]butanoic acid
CID 82100133
(NZ)-N-[(E)-4-methyl-1,2-bis(4-methylphenyl)hex-2-enylidene]hydroxylamine
CID 142113819

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-2-(4-methylphenyl)pent-1-en-1-ol?
The IUPAC name of (Z)-3-methyl-2-(4-methylphenyl)pent-1-en-1-ol (CID 177405347) is (Z)-3-methyl-2-(4-methylphenyl)pent-1-en-1-ol.
What is the SMILES notation for (Z)-3-methyl-2-(4-methylphenyl)pent-1-en-1-ol?
The canonical SMILES for (Z)-3-methyl-2-(4-methylphenyl)pent-1-en-1-ol is CCC(C)/C(=C/O)c1ccc(C)cc1.
What is the InChIKey of (Z)-3-methyl-2-(4-methylphenyl)pent-1-en-1-ol?
The InChIKey is SPNGHXLEZRCKOF-LCYFTJDESA-N. The full InChI is InChI=1S/C13H18O/c1-4-11(3)13(9-14)12-7-5-10(2)6-8-12/h5-9,11,14H,4H2,1-3H3/b13-9-.
What are the key properties of (Z)-3-methyl-2-(4-methylphenyl)pent-1-en-1-ol?
(Z)-3-methyl-2-(4-methylphenyl)pent-1-en-1-ol has a molecular weight of 190.29 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-2-(4-methylphenyl)pent-1-en-1-ol is sourced from PubChem (CID 177405347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).