3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-ol

C11H13ClO2 — CID 141410707

IUPAC3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-ol
SMILESCCOc1ccc(C=CCO)cc1Cl
InChIInChI=1S/C11H13ClO2/c1-2-14-11-6-5-9(4-3-7-13)8-10(11)12/h3-6,8,13H,2,7H2,1H3
InChIKeyPCFDBQOESWOEQK-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.74
Rot. Bonds4

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

3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-ol (PubChem CID 141410707) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-ol
PubChem CID141410707
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-ol
SMILESCCOc1ccc(C=CCO)cc1Cl
InChIInChI=1S/C11H13ClO2/c1-2-14-11-6-5-9(4-3-7-13)8-10(11)12/h3-6,8,13H,2,7H2,1H3
InChIKeyPCFDBQOESWOEQK-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-amine
CID 82284249
3-(3-chloro-4-ethoxyphenyl)prop-2-enoyl chloride
CID 131846945
3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-en-1-ol
CID 79334314
3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
CID 169454327
(E)-3-(4-chloro-3-methoxyphenyl)prop-2-en-1-ol
CID 130131205
2-chloro-4-[(E)-3-hydroxyprop-1-enyl]phenol
CID 12641151
3-(4-bromo-3-chlorophenyl)prop-2-en-1-ol
CID 169454245
(E)-3-(3-ethoxyphenyl)prop-2-en-1-ol
CID 11073969
3-(3-amino-4-chlorophenyl)prop-2-en-1-ol
CID 169453053
3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol
CID 66664968
2,4-dichloro-1-ethoxybenzene;formic acid
CID 145046183
5-(3-hydroxyprop-1-enyl)-2-methoxyphenol
CID 79334673

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-ol?
The IUPAC name of 3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-ol (CID 141410707) is 3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-ol?
The canonical SMILES for 3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-ol is CCOc1ccc(C=CCO)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-ol?
The InChIKey is PCFDBQOESWOEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-2-14-11-6-5-9(4-3-7-13)8-10(11)12/h3-6,8,13H,2,7H2,1H3.
What are the key properties of 3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-ol?
3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-ol has a molecular weight of 212.68 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-ol is sourced from PubChem (CID 141410707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).