2-(3-chloro-4-ethoxyphenyl)butan-1-ol

C12H17ClO2 — CID 116964115

IUPAC2-(3-chloro-4-ethoxyphenyl)butan-1-ol
SMILESCCOc1ccc(C(CC)CO)cc1Cl
InChIInChI=1S/C12H17ClO2/c1-3-9(8-14)10-5-6-12(15-4-2)11(13)7-10/h5-7,9,14H,3-4,8H2,1-2H3
InChIKeySKSJRXOKJBPAFZ-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.22
Rot. Bonds5

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

2-(3-chloro-4-ethoxyphenyl)butan-1-ol (PubChem CID 116964115) has the molecular formula C12H17ClO2 and a molecular weight of 228.72 g/mol. Its IUPAC name is 2-(3-chloro-4-ethoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name2-(3-chloro-4-ethoxyphenyl)butan-1-ol
PubChem CID116964115
Molecular FormulaC12H17ClO2
Molecular Weight228.72 g/mol
Exact Mass228.09
IUPAC Name2-(3-chloro-4-ethoxyphenyl)butan-1-ol
SMILESCCOc1ccc(C(CC)CO)cc1Cl
InChIInChI=1S/C12H17ClO2/c1-3-9(8-14)10-5-6-12(15-4-2)11(13)7-10/h5-7,9,14H,3-4,8H2,1-2H3
InChIKeySKSJRXOKJBPAFZ-UHFFFAOYSA-N
XLogP3.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-ethoxyphenyl)propan-1-ol
CID 82629836
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
4-(3,4-diethoxyphenyl)hexane-1,2-diol
CID 83923632
1-amino-1-(3-chloro-4-ethoxyphenyl)propan-2-one
CID 116859678
2-chloro-2-(3-chloro-4-ethoxyphenyl)acetic acid
CID 82296775
(3-chloro-4-ethoxyphenyl)-methoxymethanamine
CID 116947279
2-[(3-chloro-4-ethoxyphenyl)methyl]butan-1-ol
CID 116930771
1-bromo-1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine
CID 116915052
4-[3-amino-2-(3-chloro-4-ethoxyphenyl)propyl]-2-chlorophenol
CID 83973519
(3-chloro-4-ethoxyphenyl)-(1H-imidazol-2-yl)methanamine
CID 116835164
1-(3-chloro-4-ethoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 116947925

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-ethoxyphenyl)butan-1-ol?
The IUPAC name of 2-(3-chloro-4-ethoxyphenyl)butan-1-ol (CID 116964115) is 2-(3-chloro-4-ethoxyphenyl)butan-1-ol.
What is the SMILES notation for 2-(3-chloro-4-ethoxyphenyl)butan-1-ol?
The canonical SMILES for 2-(3-chloro-4-ethoxyphenyl)butan-1-ol is CCOc1ccc(C(CC)CO)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-ethoxyphenyl)butan-1-ol?
The InChIKey is SKSJRXOKJBPAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2/c1-3-9(8-14)10-5-6-12(15-4-2)11(13)7-10/h5-7,9,14H,3-4,8H2,1-2H3.
What are the key properties of 2-(3-chloro-4-ethoxyphenyl)butan-1-ol?
2-(3-chloro-4-ethoxyphenyl)butan-1-ol has a molecular weight of 228.72 g/mol, XLogP of 3.22, 5 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)butan-1-ol is sourced from PubChem (CID 116964115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).