1-(2-chloro-4-methylphenyl)-4-phenoxybutan-2-ol

C17H19ClO2 — CID 106867236

IUPAC1-(2-chloro-4-methylphenyl)-4-phenoxybutan-2-ol
SMILESCc1ccc(CC(O)CCOc2ccccc2)c(Cl)c1
InChIInChI=1S/C17H19ClO2/c1-13-7-8-14(17(18)11-13)12-15(19)9-10-20-16-5-3-2-4-6-16/h2-8,11,15,19H,9-10,12H2,1H3
InChIKeyRGYSNAZIIFMYHM-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.02
Rot. Bonds6

About 1-(2-chloro-4-methylphenyl)-4-phenoxybutan-2-ol

1-(2-chloro-4-methylphenyl)-4-phenoxybutan-2-ol (PubChem CID 106867236) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-4-phenoxybutan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-4-phenoxybutan-2-ol
PubChem CID106867236
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name1-(2-chloro-4-methylphenyl)-4-phenoxybutan-2-ol
SMILESCc1ccc(CC(O)CCOc2ccccc2)c(Cl)c1
InChIInChI=1S/C17H19ClO2/c1-13-7-8-14(17(18)11-13)12-15(19)9-10-20-16-5-3-2-4-6-16/h2-8,11,15,19H,9-10,12H2,1H3
InChIKeyRGYSNAZIIFMYHM-UHFFFAOYSA-N
XLogP4.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-4-phenoxybutan-2-ol
CID 62620850
1-(2-chloro-4-methylphenyl)-5-phenylpentan-2-ol
CID 106868054
1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 106868107
1,5-diphenoxypentan-3-ol
CID 5314309
1-(2-chloro-4-methylphenyl)-3-propoxypropan-2-ol
CID 106867286
1-(2-chloro-4-methylphenyl)-3-phenoxypropan-2-one
CID 106865437
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
1-(2-chloro-4-methylphenyl)-4-pyridin-3-ylbutan-2-ol
CID 106868066
1-(4-chlorophenyl)-4-phenoxybutan-2-ol
CID 60798401
1-(2-bromophenyl)-4-phenoxybutan-2-ol
CID 60798661
1-(3-chlorophenyl)-4-phenoxybutan-2-ol
CID 60798521
1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-ol
CID 106867394

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-4-phenoxybutan-2-ol?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-4-phenoxybutan-2-ol (CID 106867236) is 1-(2-chloro-4-methylphenyl)-4-phenoxybutan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-4-phenoxybutan-2-ol?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-4-phenoxybutan-2-ol is Cc1ccc(CC(O)CCOc2ccccc2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-4-phenoxybutan-2-ol?
The InChIKey is RGYSNAZIIFMYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-13-7-8-14(17(18)11-13)12-15(19)9-10-20-16-5-3-2-4-6-16/h2-8,11,15,19H,9-10,12H2,1H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-4-phenoxybutan-2-ol?
1-(2-chloro-4-methylphenyl)-4-phenoxybutan-2-ol has a molecular weight of 290.79 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-4-phenoxybutan-2-ol is sourced from PubChem (CID 106867236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).