3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-en-1-ol

C12H15ClO3 — CID 79334314

IUPAC3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-en-1-ol
SMILESCCOc1cc(C=CCO)cc(Cl)c1OC
InChIInChI=1S/C12H15ClO3/c1-3-16-11-8-9(5-4-6-14)7-10(13)12(11)15-2/h4-5,7-8,14H,3,6H2,1-2H3
InChIKeyVBBOGEJUQKPKSM-UHFFFAOYSA-N
MW242.70 g/mol
LogP2.75
Rot. Bonds5

About 3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-en-1-ol

3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-en-1-ol (PubChem CID 79334314) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is 3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-en-1-ol
PubChem CID79334314
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Name3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-en-1-ol
SMILESCCOc1cc(C=CCO)cc(Cl)c1OC
InChIInChI=1S/C12H15ClO3/c1-3-16-11-8-9(5-4-6-14)7-10(13)12(11)15-2/h4-5,7-8,14H,3,6H2,1-2H3
InChIKeyVBBOGEJUQKPKSM-UHFFFAOYSA-N
XLogP2.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-5-ethoxy-4-methoxyphenyl)but-3-en-1-amine
CID 76996980
(E)-4-(3-chloro-5-ethoxy-4-methoxyphenyl)but-3-en-2-ol
CID 113360081
(NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 5412015
3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-ol
CID 141410707
2-ethoxy-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
CID 101382375
3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-ethylprop-2-enamide
CID 75266195
2-[2-chloro-4-(3-hydroxyprop-1-enyl)-6-methoxyphenoxy]acetamide
CID 79334777
3-chloro-5-ethoxy-4-methoxyphenol
CID 121210329
3-(3-chloro-5-ethoxy-4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
CID 78905868
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]prop-2-enamide
CID 9224667
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-cyclopentylprop-2-enamide
CID 9213962
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-pentan-2-ylprop-2-enamide
CID 42979719

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-en-1-ol?
The IUPAC name of 3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-en-1-ol (CID 79334314) is 3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-en-1-ol?
The canonical SMILES for 3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-en-1-ol is CCOc1cc(C=CCO)cc(Cl)c1OC.
What is the InChIKey of 3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-en-1-ol?
The InChIKey is VBBOGEJUQKPKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-3-16-11-8-9(5-4-6-14)7-10(13)12(11)15-2/h4-5,7-8,14H,3,6H2,1-2H3.
What are the key properties of 3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-en-1-ol?
3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-en-1-ol has a molecular weight of 242.70 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-en-1-ol is sourced from PubChem (CID 79334314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).