2-(3-chloro-4-ethoxyphenyl)propan-2-ol

C11H15ClO2 — CID 116963403

IUPAC2-(3-chloro-4-ethoxyphenyl)propan-2-ol
SMILESCCOc1ccc(C(C)(C)O)cc1Cl
InChIInChI=1S/C11H15ClO2/c1-4-14-10-6-5-8(7-9(10)12)11(2,3)13/h5-7,13H,4H2,1-3H3
InChIKeyBHAFXNLHOVNQHP-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.97
Rot. Bonds3

About 2-(3-chloro-4-ethoxyphenyl)propan-2-ol

2-(3-chloro-4-ethoxyphenyl)propan-2-ol (PubChem CID 116963403) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 2-(3-chloro-4-ethoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-chloro-4-ethoxyphenyl)propan-2-ol
PubChem CID116963403
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name2-(3-chloro-4-ethoxyphenyl)propan-2-ol
SMILESCCOc1ccc(C(C)(C)O)cc1Cl
InChIInChI=1S/C11H15ClO2/c1-4-14-10-6-5-8(7-9(10)12)11(2,3)13/h5-7,13H,4H2,1-3H3
InChIKeyBHAFXNLHOVNQHP-UHFFFAOYSA-N
XLogP2.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chloro-4-ethoxyphenyl)-2-methylpropyl]acetamide
CID 115191439
2-(3-chloro-4-ethoxyphenyl)-2,4-dimethylpentan-1-amine
CID 112519815
2,4-dichloro-1-ethoxybenzene;formic acid
CID 145046183
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide
CID 15991907
2-(3-chloro-4-ethoxyphenyl)sulfanyl-2-methylpropan-1-ol
CID 116852303
2-chloro-4-[2-[1-(3-chloro-4-ethoxyphenyl)-2-methylpropan-2-yl]oxy-2-methylpropyl]-1-ethoxybenzene
CID 57051118
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442
2-[3-chloro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117306056
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17156923
1-(3-chloro-4-ethoxyphenyl)propan-1-ol
CID 82629836
3-chloro-4-ethoxybenzoate
CID 6927202
2-chloro-4-(2-methylheptan-2-yl)-1-pentoxybenzene
CID 54425334

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-ethoxyphenyl)propan-2-ol?
The IUPAC name of 2-(3-chloro-4-ethoxyphenyl)propan-2-ol (CID 116963403) is 2-(3-chloro-4-ethoxyphenyl)propan-2-ol.
What is the SMILES notation for 2-(3-chloro-4-ethoxyphenyl)propan-2-ol?
The canonical SMILES for 2-(3-chloro-4-ethoxyphenyl)propan-2-ol is CCOc1ccc(C(C)(C)O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-ethoxyphenyl)propan-2-ol?
The InChIKey is BHAFXNLHOVNQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-4-14-10-6-5-8(7-9(10)12)11(2,3)13/h5-7,13H,4H2,1-3H3.
What are the key properties of 2-(3-chloro-4-ethoxyphenyl)propan-2-ol?
2-(3-chloro-4-ethoxyphenyl)propan-2-ol has a molecular weight of 214.69 g/mol, XLogP of 2.97, 3 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)propan-2-ol is sourced from PubChem (CID 116963403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).