(1R)-2-chloro-1-[1-(2-methoxyphenyl)cyclobutyl]ethanol

C13H17ClO2 — CID 58737498

IUPAC(1R)-2-chloro-1-[1-(2-methoxyphenyl)cyclobutyl]ethanol
SMILESCOc1ccccc1C1([C@@H](O)CCl)CCC1
InChIInChI=1S/C13H17ClO2/c1-16-11-6-3-2-5-10(11)13(7-4-8-13)12(15)9-14/h2-3,5-6,12,15H,4,7-9H2,1H3/t12-/m0/s1
InChIKeyZTZYXMGGWAFHHX-LBPRGKRZSA-N
MW240.73 g/mol
LogP2.72
Rot. Bonds4

About (1R)-2-chloro-1-[1-(2-methoxyphenyl)cyclobutyl]ethanol

(1R)-2-chloro-1-[1-(2-methoxyphenyl)cyclobutyl]ethanol (PubChem CID 58737498) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is (1R)-2-chloro-1-[1-(2-methoxyphenyl)cyclobutyl]ethanol.

Molecular Properties

Compound Name(1R)-2-chloro-1-[1-(2-methoxyphenyl)cyclobutyl]ethanol
PubChem CID58737498
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name(1R)-2-chloro-1-[1-(2-methoxyphenyl)cyclobutyl]ethanol
SMILESCOc1ccccc1C1([C@@H](O)CCl)CCC1
InChIInChI=1S/C13H17ClO2/c1-16-11-6-3-2-5-10(11)13(7-4-8-13)12(15)9-14/h2-3,5-6,12,15H,4,7-9H2,1H3/t12-/m0/s1
InChIKeyZTZYXMGGWAFHHX-LBPRGKRZSA-N
XLogP2.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-chloro-1-[1-(2-methoxyphenyl)cyclobutyl]ethanol?
The IUPAC name of (1R)-2-chloro-1-[1-(2-methoxyphenyl)cyclobutyl]ethanol (CID 58737498) is (1R)-2-chloro-1-[1-(2-methoxyphenyl)cyclobutyl]ethanol.
What is the SMILES notation for (1R)-2-chloro-1-[1-(2-methoxyphenyl)cyclobutyl]ethanol?
The canonical SMILES for (1R)-2-chloro-1-[1-(2-methoxyphenyl)cyclobutyl]ethanol is COc1ccccc1C1([C@@H](O)CCl)CCC1.
What is the InChIKey of (1R)-2-chloro-1-[1-(2-methoxyphenyl)cyclobutyl]ethanol?
The InChIKey is ZTZYXMGGWAFHHX-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17ClO2/c1-16-11-6-3-2-5-10(11)13(7-4-8-13)12(15)9-14/h2-3,5-6,12,15H,4,7-9H2,1H3/t12-/m0/s1.
What are the key properties of (1R)-2-chloro-1-[1-(2-methoxyphenyl)cyclobutyl]ethanol?
(1R)-2-chloro-1-[1-(2-methoxyphenyl)cyclobutyl]ethanol has a molecular weight of 240.73 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-chloro-1-[1-(2-methoxyphenyl)cyclobutyl]ethanol is sourced from PubChem (CID 58737498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).