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

C14H20O — CID 115023711

IUPAC(Z)-4,4-dimethyl-3-(3-methylphenyl)pent-2-en-1-ol
SMILESCc1cccc(/C(=C\CO)C(C)(C)C)c1
InChIInChI=1S/C14H20O/c1-11-6-5-7-12(10-11)13(8-9-15)14(2,3)4/h5-8,10,15H,9H2,1-4H3/b13-8+
InChIKeySEFJUGYTKJYXDC-MDWZMJQESA-N
MW204.31 g/mol
LogP3.42
Rot. Bonds2

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

(Z)-4,4-dimethyl-3-(3-methylphenyl)pent-2-en-1-ol (PubChem CID 115023711) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (Z)-4,4-dimethyl-3-(3-methylphenyl)pent-2-en-1-ol.

Molecular Properties

Compound Name(Z)-4,4-dimethyl-3-(3-methylphenyl)pent-2-en-1-ol
PubChem CID115023711
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(Z)-4,4-dimethyl-3-(3-methylphenyl)pent-2-en-1-ol
SMILESCc1cccc(/C(=C\CO)C(C)(C)C)c1
InChIInChI=1S/C14H20O/c1-11-6-5-7-12(10-11)13(8-9-15)14(2,3)4/h5-8,10,15H,9H2,1-4H3/b13-8+
InChIKeySEFJUGYTKJYXDC-MDWZMJQESA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methylbenzoic acid
CID 7418
1-methyl-3-(3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)benzene
CID 57353749
N-tert-butyl-4-(3-methylphenyl)pent-3-en-1-amine
CID 79607366
1-(3-methylphenyl)but-3-en-1-one
CID 61380184
1,2-bis(3-methylphenyl)ethene-1,2-dithiol
CID 76563900
bis(3-methylphenyl)methanone
CID 17848
4-(3-methylphenyl)pent-3-en-1-amine
CID 76996989
1-(5-chloropent-2-en-2-yl)-3-methylbenzene
CID 79002012
3-hydroxy-2-(3-methylphenyl)prop-2-enal
CID 5011730
1-[(Z)-4-bromo-1-fluorobut-2-en-2-yl]-3-methylbenzene
CID 135071585
(3-methylbenzoyl)azanium
CID 153183849
hydroxymethyl 3-methylbenzoate
CID 54320661

Frequently Asked Questions

What is the IUPAC name of (Z)-4,4-dimethyl-3-(3-methylphenyl)pent-2-en-1-ol?
The IUPAC name of (Z)-4,4-dimethyl-3-(3-methylphenyl)pent-2-en-1-ol (CID 115023711) is (Z)-4,4-dimethyl-3-(3-methylphenyl)pent-2-en-1-ol.
What is the SMILES notation for (Z)-4,4-dimethyl-3-(3-methylphenyl)pent-2-en-1-ol?
The canonical SMILES for (Z)-4,4-dimethyl-3-(3-methylphenyl)pent-2-en-1-ol is Cc1cccc(/C(=C\CO)C(C)(C)C)c1.
What is the InChIKey of (Z)-4,4-dimethyl-3-(3-methylphenyl)pent-2-en-1-ol?
The InChIKey is SEFJUGYTKJYXDC-MDWZMJQESA-N. The full InChI is InChI=1S/C14H20O/c1-11-6-5-7-12(10-11)13(8-9-15)14(2,3)4/h5-8,10,15H,9H2,1-4H3/b13-8+.
What are the key properties of (Z)-4,4-dimethyl-3-(3-methylphenyl)pent-2-en-1-ol?
(Z)-4,4-dimethyl-3-(3-methylphenyl)pent-2-en-1-ol has a molecular weight of 204.31 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4-dimethyl-3-(3-methylphenyl)pent-2-en-1-ol is sourced from PubChem (CID 115023711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).