2-chloro-2-phenylpropan-1-ol

C9H11ClO — CID 21408065

IUPAC2-chloro-2-phenylpropan-1-ol
SMILESCC(Cl)(CO)c1ccccc1
InChIInChI=1S/C9H11ClO/c1-9(10,7-11)8-5-3-2-4-6-8/h2-6,11H,7H2,1H3
InChIKeyMEMJIEDIHHCNLY-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.13
Rot. Bonds2

About 2-chloro-2-phenylpropan-1-ol

2-chloro-2-phenylpropan-1-ol (PubChem CID 21408065) has the molecular formula C9H11ClO and a molecular weight of 170.64 g/mol. Its IUPAC name is 2-chloro-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-chloro-2-phenylpropan-1-ol
PubChem CID21408065
Molecular FormulaC9H11ClO
Molecular Weight170.64 g/mol
Exact Mass170.05
IUPAC Name2-chloro-2-phenylpropan-1-ol
SMILESCC(Cl)(CO)c1ccccc1
InChIInChI=1S/C9H11ClO/c1-9(10,7-11)8-5-3-2-4-6-8/h2-6,11H,7H2,1H3
InChIKeyMEMJIEDIHHCNLY-UHFFFAOYSA-N
XLogP2.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chlorobutan-2-ylbenzene;ethane
CID 123404536
2,4-dichlorobutan-2-ylbenzene
CID 91712568
dichlorotitanium;bis(2-methyl-2-phenylpropan-1-ol)
CID 18688279
2-chloro-2-methyl-3-phenylpropan-1-ol
CID 130128732
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124
tert-butylbenzene;chloromethane;ethane
CID 91149652
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
3-methyl-3-phenylpentane-1,5-diol
CID 3019682
3,4-dimethyl-3,4-diphenylhexane-1,6-diol
CID 102025625
(4-chloro-2,4-dimethylpentan-2-yl)benzene
CID 13095883
gold(1+);2-phenylpropane-1,2-diol
CID 88672185
dichloro(phenyl)methanol
CID 25493

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-phenylpropan-1-ol?
The IUPAC name of 2-chloro-2-phenylpropan-1-ol (CID 21408065) is 2-chloro-2-phenylpropan-1-ol.
What is the SMILES notation for 2-chloro-2-phenylpropan-1-ol?
The canonical SMILES for 2-chloro-2-phenylpropan-1-ol is CC(Cl)(CO)c1ccccc1.
What is the InChIKey of 2-chloro-2-phenylpropan-1-ol?
The InChIKey is MEMJIEDIHHCNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO/c1-9(10,7-11)8-5-3-2-4-6-8/h2-6,11H,7H2,1H3.
What are the key properties of 2-chloro-2-phenylpropan-1-ol?
2-chloro-2-phenylpropan-1-ol has a molecular weight of 170.64 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-phenylpropan-1-ol is sourced from PubChem (CID 21408065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).