2-[(3-chloro-4-ethoxyphenyl)methyl]butan-1-ol

C13H19ClO2 — CID 116930771

IUPAC2-[(3-chloro-4-ethoxyphenyl)methyl]butan-1-ol
SMILESCCOc1ccc(CC(CC)CO)cc1Cl
InChIInChI=1S/C13H19ClO2/c1-3-10(9-15)7-11-5-6-13(16-4-2)12(14)8-11/h5-6,8,10,15H,3-4,7,9H2,1-2H3
InChIKeyIJYVDSNWUXEVNV-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.30
Rot. Bonds6

About 2-[(3-chloro-4-ethoxyphenyl)methyl]butan-1-ol

2-[(3-chloro-4-ethoxyphenyl)methyl]butan-1-ol (PubChem CID 116930771) has the molecular formula C13H19ClO2 and a molecular weight of 242.75 g/mol. Its IUPAC name is 2-[(3-chloro-4-ethoxyphenyl)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[(3-chloro-4-ethoxyphenyl)methyl]butan-1-ol
PubChem CID116930771
Molecular FormulaC13H19ClO2
Molecular Weight242.75 g/mol
Exact Mass242.11
IUPAC Name2-[(3-chloro-4-ethoxyphenyl)methyl]butan-1-ol
SMILESCCOc1ccc(CC(CC)CO)cc1Cl
InChIInChI=1S/C13H19ClO2/c1-3-10(9-15)7-11-5-6-13(16-4-2)12(14)8-11/h5-6,8,10,15H,3-4,7,9H2,1-2H3
InChIKeyIJYVDSNWUXEVNV-UHFFFAOYSA-N
XLogP3.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-ethoxyphenyl)butan-1-ol
CID 116964115
2-[(4-chlorophenyl)methyl]butan-1-ol
CID 50898989
4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol
CID 83975417
4-[2-(aminomethyl)-3-hydroxypropyl]-2-chloro-6-ethoxyphenol
CID 83977198
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442
2-[(3,4-dichlorophenyl)methyl]pentan-1-ol
CID 66060036
1-(3-chloro-4-ethoxyphenyl)propan-1-ol
CID 82629836
4-[3-amino-2-(3-chloro-4-ethoxyphenyl)propyl]-2-chlorophenol
CID 83973519
3-(3-chloro-4-ethoxyphenyl)propanoic acid
CID 82052851
3-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine
CID 83977058
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-hydroxyacetamide
CID 115139828
2-(3-chloro-4-ethoxyphenyl)propan-2-ol
CID 116963403

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-ethoxyphenyl)methyl]butan-1-ol?
The IUPAC name of 2-[(3-chloro-4-ethoxyphenyl)methyl]butan-1-ol (CID 116930771) is 2-[(3-chloro-4-ethoxyphenyl)methyl]butan-1-ol.
What is the SMILES notation for 2-[(3-chloro-4-ethoxyphenyl)methyl]butan-1-ol?
The canonical SMILES for 2-[(3-chloro-4-ethoxyphenyl)methyl]butan-1-ol is CCOc1ccc(CC(CC)CO)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-ethoxyphenyl)methyl]butan-1-ol?
The InChIKey is IJYVDSNWUXEVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO2/c1-3-10(9-15)7-11-5-6-13(16-4-2)12(14)8-11/h5-6,8,10,15H,3-4,7,9H2,1-2H3.
What are the key properties of 2-[(3-chloro-4-ethoxyphenyl)methyl]butan-1-ol?
2-[(3-chloro-4-ethoxyphenyl)methyl]butan-1-ol has a molecular weight of 242.75 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-ethoxyphenyl)methyl]butan-1-ol is sourced from PubChem (CID 116930771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).