(E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol

C11H14O2 — CID 59912945

IUPAC(E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol
SMILESCOc1ccc(/C=C/CO)cc1C
InChIInChI=1S/C11H14O2/c1-9-8-10(4-3-7-12)5-6-11(9)13-2/h3-6,8,12H,7H2,1-2H3/b4-3+
InChIKeyADBWZXJINSGZKQ-ONEGZZNKSA-N
MW178.23 g/mol
LogP2.01
Rot. Bonds3

About (E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol

(E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol (PubChem CID 59912945) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol
PubChem CID59912945
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol
SMILESCOc1ccc(/C=C/CO)cc1C
InChIInChI=1S/C11H14O2/c1-9-8-10(4-3-7-12)5-6-11(9)13-2/h3-6,8,12H,7H2,1-2H3/b4-3+
InChIKeyADBWZXJINSGZKQ-ONEGZZNKSA-N
XLogP2.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-(3,4-dimethylphenyl)prop-2-en-1-ol
CID 21017863
3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol
CID 66664968
3-(4-methoxy-3-methylphenyl)prop-2-ene-1-thiol
CID 169455055
5-(3-hydroxyprop-1-enyl)-2-methoxyphenol
CID 79334673
4-(4-methoxy-3-methylphenyl)but-3-ene-1-thiol
CID 170478221
3-[3-(chloromethyl)-4-methoxyphenyl]prop-2-en-1-ol
CID 169454426
(E)-3-[3-methoxy-5-methyl-4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol;(E)-3-[3-methyl-4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol
CID 145196289
(E)-3-(4-chloro-3-methoxyphenyl)prop-2-en-1-ol
CID 130131205
4-(4-methoxy-3-methylphenyl)-N-methylbut-3-en-1-amine
CID 170495663
3-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol
CID 163079433
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

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol (CID 59912945) is (E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol is COc1ccc(/C=C/CO)cc1C.
What is the InChIKey of (E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol?
The InChIKey is ADBWZXJINSGZKQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H14O2/c1-9-8-10(4-3-7-12)5-6-11(9)13-2/h3-6,8,12H,7H2,1-2H3/b4-3+.
What are the key properties of (E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol?
(E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol has a molecular weight of 178.23 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol is sourced from PubChem (CID 59912945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).