3-chloro-2-phenylmethoxypropan-1-ol

C10H13ClO2 — CID 13356685

IUPAC3-chloro-2-phenylmethoxypropan-1-ol
SMILESOCC(CCl)OCc1ccccc1
InChIInChI=1S/C10H13ClO2/c11-6-10(7-12)13-8-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2
InChIKeyRPDFEIAGWRGDKZ-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.80
Rot. Bonds5

About 3-chloro-2-phenylmethoxypropan-1-ol

3-chloro-2-phenylmethoxypropan-1-ol (PubChem CID 13356685) has the molecular formula C10H13ClO2 and a molecular weight of 200.67 g/mol. Its IUPAC name is 3-chloro-2-phenylmethoxypropan-1-ol.

Molecular Properties

Compound Name3-chloro-2-phenylmethoxypropan-1-ol
PubChem CID13356685
Molecular FormulaC10H13ClO2
Molecular Weight200.67 g/mol
Exact Mass200.06
IUPAC Name3-chloro-2-phenylmethoxypropan-1-ol
SMILESOCC(CCl)OCc1ccccc1
InChIInChI=1S/C10H13ClO2/c11-6-10(7-12)13-8-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2
InChIKeyRPDFEIAGWRGDKZ-UHFFFAOYSA-N
XLogP1.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-dichloropropan-2-yloxymethylbenzene
CID 5155009
(2S)-3-phenyl-2-phenylmethoxypropan-1-ol
CID 11831604
3-ethoxy-2-phenylmethoxypropan-1-ol
CID 154048431
4-methyl-2-phenylmethoxypentan-1-ol
CID 53397722
2-phenylmethoxy-3-(2-phenylmethoxy-3-prop-2-enoxypropoxy)propan-1-ol
CID 171850384
(2S)-3-(3-phenoxypropoxy)-2-phenylmethoxypropan-1-ol
CID 162458936
(2S)-2-phenylmethoxyicosan-1-ol
CID 168831191
(2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol
CID 10893804
(3R)-3-phenylmethoxypentan-1-ol
CID 130841649
3-[butyl(dimethyl)silyl]oxy-2-phenylmethoxypropan-1-ol
CID 70144732
(2S,3S)-3-phenylmethoxybutane-1,2,4-triol
CID 10921802
4-methoxy-2-phenylmethoxy-4-phenylsulfanylbutan-1-ol
CID 71659157

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-phenylmethoxypropan-1-ol?
The IUPAC name of 3-chloro-2-phenylmethoxypropan-1-ol (CID 13356685) is 3-chloro-2-phenylmethoxypropan-1-ol.
What is the SMILES notation for 3-chloro-2-phenylmethoxypropan-1-ol?
The canonical SMILES for 3-chloro-2-phenylmethoxypropan-1-ol is OCC(CCl)OCc1ccccc1.
What is the InChIKey of 3-chloro-2-phenylmethoxypropan-1-ol?
The InChIKey is RPDFEIAGWRGDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c11-6-10(7-12)13-8-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2.
What are the key properties of 3-chloro-2-phenylmethoxypropan-1-ol?
3-chloro-2-phenylmethoxypropan-1-ol has a molecular weight of 200.67 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-phenylmethoxypropan-1-ol is sourced from PubChem (CID 13356685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).