3-chloro-1-phenoxypropan-1-ol

C9H11ClO2 — CID 154138508

IUPAC3-chloro-1-phenoxypropan-1-ol
SMILESOC(CCCl)Oc1ccccc1
InChIInChI=1S/C9H11ClO2/c10-7-6-9(11)12-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2
InChIKeyHSQHCPCRKPKVQK-UHFFFAOYSA-N
MW186.64 g/mol
LogP2.01
Rot. Bonds4

About 3-chloro-1-phenoxypropan-1-ol

3-chloro-1-phenoxypropan-1-ol (PubChem CID 154138508) has the molecular formula C9H11ClO2 and a molecular weight of 186.64 g/mol. Its IUPAC name is 3-chloro-1-phenoxypropan-1-ol.

Molecular Properties

Compound Name3-chloro-1-phenoxypropan-1-ol
PubChem CID154138508
Molecular FormulaC9H11ClO2
Molecular Weight186.64 g/mol
Exact Mass186.04
IUPAC Name3-chloro-1-phenoxypropan-1-ol
SMILESOC(CCCl)Oc1ccccc1
InChIInChI=1S/C9H11ClO2/c10-7-6-9(11)12-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2
InChIKeyHSQHCPCRKPKVQK-UHFFFAOYSA-N
XLogP2.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5,5-dimethyl-1-phenoxyhexan-1-ol
CID 67934695
1-phenoxyhexadecan-1-ol
CID 140512988
1-phenoxy-2-phenylethanol
CID 54118978
1-phenoxyethanol
CID 66611531
chloroform;1-phenoxyethanol
CID 160851082
1-phenoxyethanol;trihydrate
CID 175915128
1-chloro-4-[(1R)-3-chloro-1-phenoxypropyl]benzene
CID 39380952
1-[(1S)-3-chloro-1-phenoxypropyl]-4-fluorobenzene
CID 39364379
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-phenoxyethanol
CID 67882501
2-(4-methylphenyl)-1-phenoxyethanol
CID 57226645
dichloro-hydroxy-phenoxyphosphanium
CID 23414991
4-chloro-1-[4-(difluoromethoxy)phenyl]butane-1,2-diol
CID 171894158

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-phenoxypropan-1-ol?
The IUPAC name of 3-chloro-1-phenoxypropan-1-ol (CID 154138508) is 3-chloro-1-phenoxypropan-1-ol.
What is the SMILES notation for 3-chloro-1-phenoxypropan-1-ol?
The canonical SMILES for 3-chloro-1-phenoxypropan-1-ol is OC(CCCl)Oc1ccccc1.
What is the InChIKey of 3-chloro-1-phenoxypropan-1-ol?
The InChIKey is HSQHCPCRKPKVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO2/c10-7-6-9(11)12-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2.
What are the key properties of 3-chloro-1-phenoxypropan-1-ol?
3-chloro-1-phenoxypropan-1-ol has a molecular weight of 186.64 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-phenoxypropan-1-ol is sourced from PubChem (CID 154138508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).