1-(2-chloro-4-methylphenyl)-2-(4-ethylphenyl)propan-2-ol

C18H21ClO — CID 106866102

IUPAC1-(2-chloro-4-methylphenyl)-2-(4-ethylphenyl)propan-2-ol
SMILESCCc1ccc(C(C)(O)Cc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C18H21ClO/c1-4-14-6-9-16(10-7-14)18(3,20)12-15-8-5-13(2)11-17(15)19/h5-11,20H,4,12H2,1-3H3
InChIKeyWFLBLRXZGIDQBP-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.66
Rot. Bonds4

About 1-(2-chloro-4-methylphenyl)-2-(4-ethylphenyl)propan-2-ol

1-(2-chloro-4-methylphenyl)-2-(4-ethylphenyl)propan-2-ol (PubChem CID 106866102) has the molecular formula C18H21ClO and a molecular weight of 288.82 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-2-(4-ethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-2-(4-ethylphenyl)propan-2-ol
PubChem CID106866102
Molecular FormulaC18H21ClO
Molecular Weight288.82 g/mol
Exact Mass288.13
IUPAC Name1-(2-chloro-4-methylphenyl)-2-(4-ethylphenyl)propan-2-ol
SMILESCCc1ccc(C(C)(O)Cc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C18H21ClO/c1-4-14-6-9-16(10-7-14)18(3,20)12-15-8-5-13(2)11-17(15)19/h5-11,20H,4,12H2,1-3H3
InChIKeyWFLBLRXZGIDQBP-UHFFFAOYSA-N
XLogP4.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)-2-(3,5-dimethylphenyl)propan-2-ol
CID 106866548
2-(2-bromophenyl)-1-(2-chloro-4-methylphenyl)propan-2-ol
CID 106866065
1-(2,4-dichlorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol
CID 65146932
2-chloro-1-ethyl-4-methylbenzene;ethane
CID 143541856
3-(2-chloro-4-methylphenyl)-1,1-dimethoxy-2-methylpropan-2-ol
CID 106866435
1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;methanol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 159025923
1-(2-chloro-4-methylphenyl)-3-methylpentane-2,3-diol
CID 106867632
1-(5-ethyl-2-pyridinyl)-2-(4-methylphenyl)propan-2-ol
CID 79740506
1-[2-(bromomethyl)-2-methylpentyl]-2-chloro-4-methylbenzene
CID 106870681
2-(3-bromophenyl)-2-[(2-chloro-4-methylphenyl)methyl]propane-1,3-diol
CID 106870763
1-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-2-ol
CID 105402436
1-[(2-chloro-4-methylphenyl)methylamino]-2-methylbutan-2-ol
CID 106862763

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(4-ethylphenyl)propan-2-ol?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(4-ethylphenyl)propan-2-ol (CID 106866102) is 1-(2-chloro-4-methylphenyl)-2-(4-ethylphenyl)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-2-(4-ethylphenyl)propan-2-ol?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-2-(4-ethylphenyl)propan-2-ol is CCc1ccc(C(C)(O)Cc2ccc(C)cc2Cl)cc1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-2-(4-ethylphenyl)propan-2-ol?
The InChIKey is WFLBLRXZGIDQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO/c1-4-14-6-9-16(10-7-14)18(3,20)12-15-8-5-13(2)11-17(15)19/h5-11,20H,4,12H2,1-3H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-2-(4-ethylphenyl)propan-2-ol?
1-(2-chloro-4-methylphenyl)-2-(4-ethylphenyl)propan-2-ol has a molecular weight of 288.82 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-2-(4-ethylphenyl)propan-2-ol is sourced from PubChem (CID 106866102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).