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

C10H11ClO2 — CID 130131205

IUPAC(E)-3-(4-chloro-3-methoxyphenyl)prop-2-en-1-ol
SMILESCOc1cc(/C=C/CO)ccc1Cl
InChIInChI=1S/C10H11ClO2/c1-13-10-7-8(3-2-6-12)4-5-9(10)11/h2-5,7,12H,6H2,1H3/b3-2+
InChIKeyZOWMZFDFJCVHJQ-NSCUHMNNSA-N
MW198.65 g/mol
LogP2.35
Rot. Bonds3

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

(E)-3-(4-chloro-3-methoxyphenyl)prop-2-en-1-ol (PubChem CID 130131205) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is (E)-3-(4-chloro-3-methoxyphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(4-chloro-3-methoxyphenyl)prop-2-en-1-ol
PubChem CID130131205
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name(E)-3-(4-chloro-3-methoxyphenyl)prop-2-en-1-ol
SMILESCOc1cc(/C=C/CO)ccc1Cl
InChIInChI=1S/C10H11ClO2/c1-13-10-7-8(3-2-6-12)4-5-9(10)11/h2-5,7,12H,6H2,1H3/b3-2+
InChIKeyZOWMZFDFJCVHJQ-NSCUHMNNSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-4-(4-chlorobut-1-enyl)-2-methoxybenzene
CID 79698072
S-[3-(4-chloro-3-methoxyphenyl)prop-2-enyl] ethanethioate
CID 169457080
5-(4-chloro-3-methoxyphenyl)pent-4-enoic acid
CID 171372515
3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol
CID 66664968
(E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol
CID 59912945
5-(3-hydroxyprop-1-enyl)-2-methoxyphenol
CID 79334673
3-[3-(chloromethyl)-4-methoxyphenyl]prop-2-en-1-ol
CID 169454426
4-(3-hydroxyprop-1-enyl)-2-methoxybenzoic acid
CID 169453817
4-[(E)-3-hydroxyprop-1-enyl]-2-methoxybenzoic acid
CID 101130006
4-(3-azidoprop-1-enyl)-1-chloro-2-methoxybenzene
CID 169461630
3-(3-amino-4-chlorophenyl)prop-2-en-1-ol
CID 169453053
3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-ol
CID 141410707

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chloro-3-methoxyphenyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(4-chloro-3-methoxyphenyl)prop-2-en-1-ol (CID 130131205) is (E)-3-(4-chloro-3-methoxyphenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(4-chloro-3-methoxyphenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(4-chloro-3-methoxyphenyl)prop-2-en-1-ol is COc1cc(/C=C/CO)ccc1Cl.
What is the InChIKey of (E)-3-(4-chloro-3-methoxyphenyl)prop-2-en-1-ol?
The InChIKey is ZOWMZFDFJCVHJQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-13-10-7-8(3-2-6-12)4-5-9(10)11/h2-5,7,12H,6H2,1H3/b3-2+.
What are the key properties of (E)-3-(4-chloro-3-methoxyphenyl)prop-2-en-1-ol?
(E)-3-(4-chloro-3-methoxyphenyl)prop-2-en-1-ol has a molecular weight of 198.65 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chloro-3-methoxyphenyl)prop-2-en-1-ol is sourced from PubChem (CID 130131205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).