(2R)-2-(3,4-dichlorophenyl)propan-1-ol

C9H10Cl2O — CID 97044410

IUPAC(2R)-2-(3,4-dichlorophenyl)propan-1-ol
SMILESC[C@@H](CO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl2O/c1-6(5-12)7-2-3-8(10)9(11)4-7/h2-4,6,12H,5H2,1H3/t6-/m0/s1
InChIKeyDARPFNFCRVPCRH-LURJTMIESA-N
MW205.08 g/mol
LogP3.09
Rot. Bonds2

About (2R)-2-(3,4-dichlorophenyl)propan-1-ol

(2R)-2-(3,4-dichlorophenyl)propan-1-ol (PubChem CID 97044410) has the molecular formula C9H10Cl2O and a molecular weight of 205.08 g/mol. Its IUPAC name is (2R)-2-(3,4-dichlorophenyl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-(3,4-dichlorophenyl)propan-1-ol
PubChem CID97044410
Molecular FormulaC9H10Cl2O
Molecular Weight205.08 g/mol
Exact Mass204.01
IUPAC Name(2R)-2-(3,4-dichlorophenyl)propan-1-ol
SMILESC[C@@H](CO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl2O/c1-6(5-12)7-2-3-8(10)9(11)4-7/h2-4,6,12H,5H2,1H3/t6-/m0/s1
InChIKeyDARPFNFCRVPCRH-LURJTMIESA-N
XLogP3.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.08
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-butan-2-yl-1,2-dichlorobenzene
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2-(3,4-dichlorophenyl)-3-methylbutan-1-ol
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(2R,5S)-5-(3,4-dichlorophenyl)-3,3-dimethylhexane-1,2-diol
CID 167110393
(2R)-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]propan-1-ol
CID 93082510
2-(3-chloro-4-imidazol-1-ylphenyl)propan-1-ol
CID 117345846
(2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 74889971
2-[1-(3,4-dichlorophenyl)propylamino]propan-1-ol
CID 43776340
3-[1-(3,4-dichlorophenyl)ethylamino]-2-methylbutan-1-ol
CID 115722751
1-(3,4-dichlorophenyl)-3-methylbutane-1,2-diol
CID 103456454
CID 87727172
CID 87727172

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dichlorophenyl)propan-1-ol?
The IUPAC name of (2R)-2-(3,4-dichlorophenyl)propan-1-ol (CID 97044410) is (2R)-2-(3,4-dichlorophenyl)propan-1-ol.
What is the SMILES notation for (2R)-2-(3,4-dichlorophenyl)propan-1-ol?
The canonical SMILES for (2R)-2-(3,4-dichlorophenyl)propan-1-ol is C[C@@H](CO)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2R)-2-(3,4-dichlorophenyl)propan-1-ol?
The InChIKey is DARPFNFCRVPCRH-LURJTMIESA-N. The full InChI is InChI=1S/C9H10Cl2O/c1-6(5-12)7-2-3-8(10)9(11)4-7/h2-4,6,12H,5H2,1H3/t6-/m0/s1.
What are the key properties of (2R)-2-(3,4-dichlorophenyl)propan-1-ol?
(2R)-2-(3,4-dichlorophenyl)propan-1-ol has a molecular weight of 205.08 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dichlorophenyl)propan-1-ol is sourced from PubChem (CID 97044410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).