3-[3-(chloromethyl)-4-methoxyphenyl]prop-2-en-1-ol

C11H13ClO2 — CID 169454426

IUPAC3-[3-(chloromethyl)-4-methoxyphenyl]prop-2-en-1-ol
SMILESCOc1ccc(C=CCO)cc1CCl
InChIInChI=1S/C11H13ClO2/c1-14-11-5-4-9(3-2-6-13)7-10(11)8-12/h2-5,7,13H,6,8H2,1H3
InChIKeyAKMVYPLUUNOJFF-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.44
Rot. Bonds4

About 3-[3-(chloromethyl)-4-methoxyphenyl]prop-2-en-1-ol

3-[3-(chloromethyl)-4-methoxyphenyl]prop-2-en-1-ol (PubChem CID 169454426) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 3-[3-(chloromethyl)-4-methoxyphenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name3-[3-(chloromethyl)-4-methoxyphenyl]prop-2-en-1-ol
PubChem CID169454426
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name3-[3-(chloromethyl)-4-methoxyphenyl]prop-2-en-1-ol
SMILESCOc1ccc(C=CCO)cc1CCl
InChIInChI=1S/C11H13ClO2/c1-14-11-5-4-9(3-2-6-13)7-10(11)8-12/h2-5,7,13H,6,8H2,1H3
InChIKeyAKMVYPLUUNOJFF-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

S-[3-[3-(chloromethyl)-4-methoxyphenyl]prop-2-enyl] ethanethioate
CID 169458502
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
(E)-3-(4-chloro-3-methoxyphenyl)prop-2-en-1-ol
CID 130131205
3-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol
CID 163079433
5-(3-chloroprop-1-enyl)-2-methoxyphenol
CID 169477190
(E)-3-[3-(chloromethyl)-4-methoxyphenyl]-1-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 19566729
4-[(E)-3-hydroxyprop-1-enyl]-2-methoxybenzoic acid
CID 101130006
4-(3-hydroxyprop-1-enyl)-2-methoxybenzoic acid
CID 169453817
[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl] (Z)-2-methylbut-2-enoate
CID 46918723
(E)-3-[3-(chloromethyl)-4-methoxyphenyl]-1-(4-chloro-1-methylpyrazol-3-yl)prop-2-en-1-one
CID 19567282

Frequently Asked Questions

What is the IUPAC name of 3-[3-(chloromethyl)-4-methoxyphenyl]prop-2-en-1-ol?
The IUPAC name of 3-[3-(chloromethyl)-4-methoxyphenyl]prop-2-en-1-ol (CID 169454426) is 3-[3-(chloromethyl)-4-methoxyphenyl]prop-2-en-1-ol.
What is the SMILES notation for 3-[3-(chloromethyl)-4-methoxyphenyl]prop-2-en-1-ol?
The canonical SMILES for 3-[3-(chloromethyl)-4-methoxyphenyl]prop-2-en-1-ol is COc1ccc(C=CCO)cc1CCl.
What is the InChIKey of 3-[3-(chloromethyl)-4-methoxyphenyl]prop-2-en-1-ol?
The InChIKey is AKMVYPLUUNOJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-14-11-5-4-9(3-2-6-13)7-10(11)8-12/h2-5,7,13H,6,8H2,1H3.
What are the key properties of 3-[3-(chloromethyl)-4-methoxyphenyl]prop-2-en-1-ol?
3-[3-(chloromethyl)-4-methoxyphenyl]prop-2-en-1-ol has a molecular weight of 212.68 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(chloromethyl)-4-methoxyphenyl]prop-2-en-1-ol is sourced from PubChem (CID 169454426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).