(E)-3-(3,4-dimethylphenyl)prop-2-en-1-ol

C11H14O — CID 21017863

IUPAC(E)-3-(3,4-dimethylphenyl)prop-2-en-1-ol
SMILESCc1ccc(/C=C/CO)cc1C
InChIInChI=1S/C11H14O/c1-9-5-6-11(4-3-7-12)8-10(9)2/h3-6,8,12H,7H2,1-2H3/b4-3+
InChIKeyHVSPHGVXDMITFJ-ONEGZZNKSA-N
MW162.23 g/mol
LogP2.31
Rot. Bonds2

About (E)-3-(3,4-dimethylphenyl)prop-2-en-1-ol

(E)-3-(3,4-dimethylphenyl)prop-2-en-1-ol (PubChem CID 21017863) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is (E)-3-(3,4-dimethylphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(3,4-dimethylphenyl)prop-2-en-1-ol
PubChem CID21017863
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name(E)-3-(3,4-dimethylphenyl)prop-2-en-1-ol
SMILESCc1ccc(/C=C/CO)cc1C
InChIInChI=1S/C11H14O/c1-9-5-6-11(4-3-7-12)8-10(9)2/h3-6,8,12H,7H2,1-2H3/b4-3+
InChIKeyHVSPHGVXDMITFJ-ONEGZZNKSA-N
XLogP2.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol
CID 59912945
3-[4-(hydroxymethyl)-3-methylphenyl]prop-2-en-1-ol
CID 169453245
(E)-3-(4-bromo-3-methylphenyl)prop-2-en-1-ol
CID 83537442
4-but-1-enyl-1,2-dimethylbenzene
CID 54516988
4-(3-hydroxyprop-1-enyl)-2-methylbenzaldehyde
CID 169453244
5-(3-hydroxyprop-1-enyl)-2-methylbenzonitrile
CID 169453340
4-[(E)-but-1-enyl]-1,2-dimethylbenzene;methanamine
CID 144895148
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
3-(3,4-dimethylphenyl)prop-2-enyl hydrogen carbonate
CID 175063351
5-(3-hydroxyprop-1-enyl)-2-methoxyphenol
CID 79334673
3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol
CID 66664968
4-(3,4-dimethylphenyl)-N-ethylbut-3-en-1-amine
CID 79592282

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethylphenyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(3,4-dimethylphenyl)prop-2-en-1-ol (CID 21017863) is (E)-3-(3,4-dimethylphenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(3,4-dimethylphenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(3,4-dimethylphenyl)prop-2-en-1-ol is Cc1ccc(/C=C/CO)cc1C.
What is the InChIKey of (E)-3-(3,4-dimethylphenyl)prop-2-en-1-ol?
The InChIKey is HVSPHGVXDMITFJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H14O/c1-9-5-6-11(4-3-7-12)8-10(9)2/h3-6,8,12H,7H2,1-2H3/b4-3+.
What are the key properties of (E)-3-(3,4-dimethylphenyl)prop-2-en-1-ol?
(E)-3-(3,4-dimethylphenyl)prop-2-en-1-ol has a molecular weight of 162.23 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethylphenyl)prop-2-en-1-ol is sourced from PubChem (CID 21017863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).