(E)-3-(2,5-dimethoxy-4-methylphenyl)prop-2-en-1-ol

C12H16O3 — CID 10512550

IUPAC(E)-3-(2,5-dimethoxy-4-methylphenyl)prop-2-en-1-ol
SMILESCOc1cc(/C=C/CO)c(OC)cc1C
InChIInChI=1S/C12H16O3/c1-9-7-12(15-3)10(5-4-6-13)8-11(9)14-2/h4-5,7-8,13H,6H2,1-3H3/b5-4+
InChIKeyIMQPRZSSGDGJRN-SNAWJCMRSA-N
MW208.26 g/mol
LogP2.02
Rot. Bonds4

About (E)-3-(2,5-dimethoxy-4-methylphenyl)prop-2-en-1-ol

(E)-3-(2,5-dimethoxy-4-methylphenyl)prop-2-en-1-ol (PubChem CID 10512550) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (E)-3-(2,5-dimethoxy-4-methylphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(2,5-dimethoxy-4-methylphenyl)prop-2-en-1-ol
PubChem CID10512550
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(E)-3-(2,5-dimethoxy-4-methylphenyl)prop-2-en-1-ol
SMILESCOc1cc(/C=C/CO)c(OC)cc1C
InChIInChI=1S/C12H16O3/c1-9-7-12(15-3)10(5-4-6-13)8-11(9)14-2/h4-5,7-8,13H,6H2,1-3H3/b5-4+
InChIKeyIMQPRZSSGDGJRN-SNAWJCMRSA-N
XLogP2.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-6-(2,5-dimethoxy-4-methylphenyl)-2-methylhex-5-en-2-amine
CID 98017457
(E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol
CID 59912945
N-[2-(2,5-dimethoxy-4-methylphenyl)ethenyl]-N-oxidohydroxylamine
CID 163177021
3-(4-fluoro-2-methoxyphenyl)prop-2-en-1-ol
CID 67414979
3-(5-amino-2-methoxyphenyl)prop-2-en-1-ol
CID 169453414
2-(2,5-dimethoxy-4-methylphenyl)-N-hydroxyethenamine oxide
CID 163177020
3-(4-methoxy-2,5-dimethylphenyl)prop-2-ene-1-thiol
CID 169455467
(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
CID 11400969
3-(4-methoxy-2-methylphenyl)prop-2-en-1-ol
CID 86025017
3-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid
CID 169453813
4-(4-methoxy-2,5-dimethylphenyl)but-3-ene-1-thiol
CID 170478636
(E)-4-(4-methoxy-2,5-dimethylphenyl)but-3-en-1-amine
CID 82077157

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5-dimethoxy-4-methylphenyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(2,5-dimethoxy-4-methylphenyl)prop-2-en-1-ol (CID 10512550) is (E)-3-(2,5-dimethoxy-4-methylphenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(2,5-dimethoxy-4-methylphenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(2,5-dimethoxy-4-methylphenyl)prop-2-en-1-ol is COc1cc(/C=C/CO)c(OC)cc1C.
What is the InChIKey of (E)-3-(2,5-dimethoxy-4-methylphenyl)prop-2-en-1-ol?
The InChIKey is IMQPRZSSGDGJRN-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H16O3/c1-9-7-12(15-3)10(5-4-6-13)8-11(9)14-2/h4-5,7-8,13H,6H2,1-3H3/b5-4+.
What are the key properties of (E)-3-(2,5-dimethoxy-4-methylphenyl)prop-2-en-1-ol?
(E)-3-(2,5-dimethoxy-4-methylphenyl)prop-2-en-1-ol has a molecular weight of 208.26 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,5-dimethoxy-4-methylphenyl)prop-2-en-1-ol is sourced from PubChem (CID 10512550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).