(1S)-1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]ethanol

C11H12Cl2O — CID 95002839

IUPAC(1S)-1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]ethanol
SMILESC[C@H](O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2O/c1-6(14)8-5-9(8)7-2-3-10(12)11(13)4-7/h2-4,6,8-9,14H,5H2,1H3/t6-,8-,9+/m0/s1
InChIKeyNIYFAYJPNHXUHR-CNUIFLNQSA-N
MW231.12 g/mol
LogP3.48
Rot. Bonds2

About (1S)-1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]ethanol

(1S)-1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]ethanol (PubChem CID 95002839) has the molecular formula C11H12Cl2O and a molecular weight of 231.12 g/mol. Its IUPAC name is (1S)-1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]ethanol
PubChem CID95002839
Molecular FormulaC11H12Cl2O
Molecular Weight231.12 g/mol
Exact Mass230.03
IUPAC Name(1S)-1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]ethanol
SMILESC[C@H](O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2O/c1-6(14)8-5-9(8)7-2-3-10(12)11(13)4-7/h2-4,6,8-9,14H,5H2,1H3/t6-,8-,9+/m0/s1
InChIKeyNIYFAYJPNHXUHR-CNUIFLNQSA-N
XLogP3.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanamine
CID 43150348
1-[2-(3-chlorophenyl)cyclopropyl]ethanol
CID 53275693
(1R)-1-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]ethanol
CID 95002894
(1R)-1-[(1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]ethanol
CID 28912472
(1S)-1-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]ethanol
CID 124828711
(1S)-1-[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropyl]ethanol
CID 124746698
(1R)-1-[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]ethanol
CID 28912113
(1R)-1-[(1S,2S)-2-(4-ethylphenyl)cyclopropyl]ethanol
CID 28912216
(1S)-1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanol
CID 92993338
(1R)-1-[(1R,2S)-2-[4-(dimethylamino)phenyl]cyclopropyl]ethanol
CID 95002836
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
1-[2-(3-methoxyphenyl)cyclopropyl]ethanol
CID 43828915

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]ethanol?
The IUPAC name of (1S)-1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]ethanol (CID 95002839) is (1S)-1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]ethanol.
What is the SMILES notation for (1S)-1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]ethanol?
The canonical SMILES for (1S)-1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]ethanol is C[C@H](O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (1S)-1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]ethanol?
The InChIKey is NIYFAYJPNHXUHR-CNUIFLNQSA-N. The full InChI is InChI=1S/C11H12Cl2O/c1-6(14)8-5-9(8)7-2-3-10(12)11(13)4-7/h2-4,6,8-9,14H,5H2,1H3/t6-,8-,9+/m0/s1.
What are the key properties of (1S)-1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]ethanol?
(1S)-1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]ethanol has a molecular weight of 231.12 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]ethanol is sourced from PubChem (CID 95002839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).