1-(4-chlorophenoxy)-3-(4-methylphenyl)propan-2-ol

C16H17ClO2 — CID 105077329

IUPAC1-(4-chlorophenoxy)-3-(4-methylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClO2/c1-12-2-4-13(5-3-12)10-15(18)11-19-16-8-6-14(17)7-9-16/h2-9,15,18H,10-11H2,1H3
InChIKeyBVBFWFKVLYCOTL-UHFFFAOYSA-N
MW276.76 g/mol
LogP3.63
Rot. Bonds5

About 1-(4-chlorophenoxy)-3-(4-methylphenyl)propan-2-ol

1-(4-chlorophenoxy)-3-(4-methylphenyl)propan-2-ol (PubChem CID 105077329) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-(4-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-(4-methylphenyl)propan-2-ol
PubChem CID105077329
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name1-(4-chlorophenoxy)-3-(4-methylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClO2/c1-12-2-4-13(5-3-12)10-15(18)11-19-16-8-6-14(17)7-9-16/h2-9,15,18H,10-11H2,1H3
InChIKeyBVBFWFKVLYCOTL-UHFFFAOYSA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenoxy)-3-(3,5-dimethylphenyl)propan-2-ol
CID 105079601
1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60798023
1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 106868107
(2R)-1-(4-chlorophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 35672224
1-[4-[2-hydroxy-3-[(4-methylphenyl)methylamino]propoxy]phenoxy]-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 19133404
1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375521
1,3-bis(4-chlorophenyl)propan-2-ol
CID 19824078
2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60798981
(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol
CID 2049238
1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol
CID 66145326
(2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 39359453
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 82027704

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-(4-methylphenyl)propan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-(4-methylphenyl)propan-2-ol (CID 105077329) is 1-(4-chlorophenoxy)-3-(4-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-(4-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-(4-methylphenyl)propan-2-ol is Cc1ccc(CC(O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-(4-methylphenyl)propan-2-ol?
The InChIKey is BVBFWFKVLYCOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-12-2-4-13(5-3-12)10-15(18)11-19-16-8-6-14(17)7-9-16/h2-9,15,18H,10-11H2,1H3.
What are the key properties of 1-(4-chlorophenoxy)-3-(4-methylphenyl)propan-2-ol?
1-(4-chlorophenoxy)-3-(4-methylphenyl)propan-2-ol has a molecular weight of 276.76 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-(4-methylphenyl)propan-2-ol is sourced from PubChem (CID 105077329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).