2-(3-chloro-4-methoxyphenyl)-2-cyclopropylethanol

C12H15ClO2 — CID 82081026

IUPAC2-(3-chloro-4-methoxyphenyl)-2-cyclopropylethanol
SMILESCOc1ccc(C(CO)C2CC2)cc1Cl
InChIInChI=1S/C12H15ClO2/c1-15-12-5-4-9(6-11(12)13)10(7-14)8-2-3-8/h4-6,8,10,14H,2-3,7H2,1H3
InChIKeyHFCAXADIORWVET-UHFFFAOYSA-N
MW226.70 g/mol
LogP2.83
Rot. Bonds4

About 2-(3-chloro-4-methoxyphenyl)-2-cyclopropylethanol

2-(3-chloro-4-methoxyphenyl)-2-cyclopropylethanol (PubChem CID 82081026) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-2-cyclopropylethanol.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-2-cyclopropylethanol
PubChem CID82081026
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name2-(3-chloro-4-methoxyphenyl)-2-cyclopropylethanol
SMILESCOc1ccc(C(CO)C2CC2)cc1Cl
InChIInChI=1S/C12H15ClO2/c1-15-12-5-4-9(6-11(12)13)10(7-14)8-2-3-8/h4-6,8,10,14H,2-3,7H2,1H3
InChIKeyHFCAXADIORWVET-UHFFFAOYSA-N
XLogP2.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-N-methylpropan-1-amine
CID 112508997
2-(3,4-dimethoxyphenyl)-2-piperidin-4-ylethanol
CID 116825142
4-(1-bromo-2-cyclopentylethyl)-2-chloro-1-methoxybenzene
CID 63439505
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
(3-chloro-4-methoxyphenyl)-cycloheptylmethanol
CID 62590019
2-bromo-4-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene
CID 82094244
2-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
CID 116860097
2-(3-chloro-4-methoxyphenyl)-2-cyclohexylacetonitrile
CID 82091396
(3-chloro-4-methoxyphenyl)-(3-methylcyclohexyl)methanol
CID 65026372
(3-chloro-4-methoxyphenyl)-(3-ethylcyclohexyl)methanol
CID 65026921
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-cyclopropylethanol
CID 65021909
2-cyclopropyl-2-(3-methylphenyl)ethanol
CID 104819581

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-2-cyclopropylethanol?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-2-cyclopropylethanol (CID 82081026) is 2-(3-chloro-4-methoxyphenyl)-2-cyclopropylethanol.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-2-cyclopropylethanol?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-2-cyclopropylethanol is COc1ccc(C(CO)C2CC2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-2-cyclopropylethanol?
The InChIKey is HFCAXADIORWVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-15-12-5-4-9(6-11(12)13)10(7-14)8-2-3-8/h4-6,8,10,14H,2-3,7H2,1H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-2-cyclopropylethanol?
2-(3-chloro-4-methoxyphenyl)-2-cyclopropylethanol has a molecular weight of 226.70 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-2-cyclopropylethanol is sourced from PubChem (CID 82081026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).