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

C11H13ClO3 — CID 163198757

IUPAC(E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-en-1-ol
SMILESCOc1ccc(/C=C/CO)c(Cl)c1OC
InChIInChI=1S/C11H13ClO3/c1-14-9-6-5-8(4-3-7-13)10(12)11(9)15-2/h3-6,13H,7H2,1-2H3/b4-3+
InChIKeyLFZQZAABJUHQTG-ONEGZZNKSA-N
MW228.67 g/mol
LogP2.36
Rot. Bonds4

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

(E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-en-1-ol (PubChem CID 163198757) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is (E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-en-1-ol
PubChem CID163198757
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name(E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-en-1-ol
SMILESCOc1ccc(/C=C/CO)c(Cl)c1OC
InChIInChI=1S/C11H13ClO3/c1-14-9-6-5-8(4-3-7-13)10(12)11(9)15-2/h3-6,13H,7H2,1-2H3/b4-3+
InChIKeyLFZQZAABJUHQTG-ONEGZZNKSA-N
XLogP2.36
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(3-chloroprop-1-enyl)-3,4-dimethoxybenzene
CID 79335637
(E)-3-(2,3-dimethoxyphenyl)prop-2-en-1-ol
CID 67913122
3-chloro-1,2-dimethoxy-4-(2-nitroethenyl)benzene
CID 54212872
3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enehydrazide
CID 2774974
(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
CID 11400969
2-hydroxy-6-(3-hydroxyprop-1-enyl)-3-methoxybenzaldehyde
CID 169453822
(E)-3-(2,3,4-trichlorophenyl)prop-2-en-1-ol
CID 173058709
3-(5-amino-2-methoxyphenyl)prop-2-en-1-ol
CID 169453414
3-(4-fluoro-2-methoxyphenyl)prop-2-en-1-ol
CID 67414979
N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-N-methylmethanamine
CID 110507443
3-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid
CID 169453813
(E)-3-(4-chloro-3-methoxyphenyl)prop-2-en-1-ol
CID 130131205

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-en-1-ol (CID 163198757) is (E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-en-1-ol is COc1ccc(/C=C/CO)c(Cl)c1OC.
What is the InChIKey of (E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-en-1-ol?
The InChIKey is LFZQZAABJUHQTG-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-14-9-6-5-8(4-3-7-13)10(12)11(9)15-2/h3-6,13H,7H2,1-2H3/b4-3+.
What are the key properties of (E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-en-1-ol?
(E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-en-1-ol has a molecular weight of 228.67 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-en-1-ol is sourced from PubChem (CID 163198757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).