3-methyl-2-[(3-methylphenyl)methylidene]butan-1-ol

C13H18O — CID 79334428

IUPAC3-methyl-2-[(3-methylphenyl)methylidene]butan-1-ol
SMILESCc1cccc(C=C(CO)C(C)C)c1
InChIInChI=1S/C13H18O/c1-10(2)13(9-14)8-12-6-4-5-11(3)7-12/h4-8,10,14H,9H2,1-3H3
InChIKeyVXEWKYJFIRQCDU-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.03
Rot. Bonds3

About 3-methyl-2-[(3-methylphenyl)methylidene]butan-1-ol

3-methyl-2-[(3-methylphenyl)methylidene]butan-1-ol (PubChem CID 79334428) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-methyl-2-[(3-methylphenyl)methylidene]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[(3-methylphenyl)methylidene]butan-1-ol
PubChem CID79334428
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name3-methyl-2-[(3-methylphenyl)methylidene]butan-1-ol
SMILESCc1cccc(C=C(CO)C(C)C)c1
InChIInChI=1S/C13H18O/c1-10(2)13(9-14)8-12-6-4-5-11(3)7-12/h4-8,10,14H,9H2,1-3H3
InChIKeyVXEWKYJFIRQCDU-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-methoxyethyl)-3-methyl-2-[(3-methylphenyl)methylidene]butan-1-amine
CID 79347991
(E)-3-methyl-4-(3-methylphenyl)but-3-en-2-amine
CID 103091736
1-[(Z)-2,3-dibromoprop-1-enyl]-3-methylbenzene
CID 166642881
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
3-methyl-4-(3-methylphenyl)but-3-en-2-one
CID 67408279
(Z)-1-N,2-N-dimethyl-3-(3-methylphenyl)prop-2-ene-1,2-diamine
CID 178168748
(E)-4-methyl-5-(3-methylphenyl)pent-4-enal
CID 58390610
(2Z)-3,3-dimethyl-2-[(3-methylphenyl)methylidene]butanal
CID 115022693
ethane;(E,2R)-6-(3-methylphenyl)hex-5-en-2-ol
CID 143867256
1-ethenyl-3-methylbenzene
CID 7529
2-methyl-N-[4-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]propanamide
CID 78773493
(Z)-3-(3-methylphenyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)prop-2-enoic acid
CID 35752875

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(3-methylphenyl)methylidene]butan-1-ol?
The IUPAC name of 3-methyl-2-[(3-methylphenyl)methylidene]butan-1-ol (CID 79334428) is 3-methyl-2-[(3-methylphenyl)methylidene]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[(3-methylphenyl)methylidene]butan-1-ol?
The canonical SMILES for 3-methyl-2-[(3-methylphenyl)methylidene]butan-1-ol is Cc1cccc(C=C(CO)C(C)C)c1.
What is the InChIKey of 3-methyl-2-[(3-methylphenyl)methylidene]butan-1-ol?
The InChIKey is VXEWKYJFIRQCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-10(2)13(9-14)8-12-6-4-5-11(3)7-12/h4-8,10,14H,9H2,1-3H3.
What are the key properties of 3-methyl-2-[(3-methylphenyl)methylidene]butan-1-ol?
3-methyl-2-[(3-methylphenyl)methylidene]butan-1-ol has a molecular weight of 190.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(3-methylphenyl)methylidene]butan-1-ol is sourced from PubChem (CID 79334428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).