3-chloro-2-phenoxybutan-2-ol

C10H13ClO2 — CID 154389199

IUPAC3-chloro-2-phenoxybutan-2-ol
SMILESCC(Cl)C(C)(O)Oc1ccccc1
InChIInChI=1S/C10H13ClO2/c1-8(11)10(2,12)13-9-6-4-3-5-7-9/h3-8,12H,1-2H3
InChIKeyPOBNZRSJOUVXDZ-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.40
Rot. Bonds3

About 3-chloro-2-phenoxybutan-2-ol

3-chloro-2-phenoxybutan-2-ol (PubChem CID 154389199) has the molecular formula C10H13ClO2 and a molecular weight of 200.67 g/mol. Its IUPAC name is 3-chloro-2-phenoxybutan-2-ol.

Molecular Properties

Compound Name3-chloro-2-phenoxybutan-2-ol
PubChem CID154389199
Molecular FormulaC10H13ClO2
Molecular Weight200.67 g/mol
Exact Mass200.06
IUPAC Name3-chloro-2-phenoxybutan-2-ol
SMILESCC(Cl)C(C)(O)Oc1ccccc1
InChIInChI=1S/C10H13ClO2/c1-8(11)10(2,12)13-9-6-4-3-5-7-9/h3-8,12H,1-2H3
InChIKeyPOBNZRSJOUVXDZ-UHFFFAOYSA-N
XLogP2.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.40
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

1-chloro-1-phenoxyethanol
CID 66681023
propan-2-ol;trifluoromethoxybenzene
CID 161029707
1,2,2-trichloro-2-phenoxyethanol
CID 70373025
phenoxybenzene;propane-2,2-diol
CID 174556232
1,2-dichloropropoxybenzene
CID 118151210
2,3-dihydroxy-2-phenoxybutanoic acid
CID 154366652
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 159885563
2-iodopropan-2-yloxybenzene
CID 147876431
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 161423888
chloroform;1-phenoxyethanol
CID 160851082
2,3-dimethyl-1-phenoxybutan-2-ol
CID 114447731
2-methyl-2-phenoxypentan-3-ol
CID 54041367

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-phenoxybutan-2-ol?
The IUPAC name of 3-chloro-2-phenoxybutan-2-ol (CID 154389199) is 3-chloro-2-phenoxybutan-2-ol.
What is the SMILES notation for 3-chloro-2-phenoxybutan-2-ol?
The canonical SMILES for 3-chloro-2-phenoxybutan-2-ol is CC(Cl)C(C)(O)Oc1ccccc1.
What is the InChIKey of 3-chloro-2-phenoxybutan-2-ol?
The InChIKey is POBNZRSJOUVXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-8(11)10(2,12)13-9-6-4-3-5-7-9/h3-8,12H,1-2H3.
What are the key properties of 3-chloro-2-phenoxybutan-2-ol?
3-chloro-2-phenoxybutan-2-ol has a molecular weight of 200.67 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-phenoxybutan-2-ol is sourced from PubChem (CID 154389199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).