1-(3-fluoro-5-methylphenyl)-2-phenylcyclohexan-1-ol

C19H21FO — CID 79691792

IUPAC1-(3-fluoro-5-methylphenyl)-2-phenylcyclohexan-1-ol
SMILESCc1cc(F)cc(C2(O)CCCCC2c2ccccc2)c1
InChIInChI=1S/C19H21FO/c1-14-11-16(13-17(20)12-14)19(21)10-6-5-9-18(19)15-7-3-2-4-8-15/h2-4,7-8,11-13,18,21H,5-6,9-10H2,1H3
InChIKeyZCLCWJUAZXXUIJ-UHFFFAOYSA-N
MW284.37 g/mol
LogP4.68
Rot. Bonds2

About 1-(3-fluoro-5-methylphenyl)-2-phenylcyclohexan-1-ol

1-(3-fluoro-5-methylphenyl)-2-phenylcyclohexan-1-ol (PubChem CID 79691792) has the molecular formula C19H21FO and a molecular weight of 284.37 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-2-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-2-phenylcyclohexan-1-ol
PubChem CID79691792
Molecular FormulaC19H21FO
Molecular Weight284.37 g/mol
Exact Mass284.16
IUPAC Name1-(3-fluoro-5-methylphenyl)-2-phenylcyclohexan-1-ol
SMILESCc1cc(F)cc(C2(O)CCCCC2c2ccccc2)c1
InChIInChI=1S/C19H21FO/c1-14-11-16(13-17(20)12-14)19(21)10-6-5-9-18(19)15-7-3-2-4-8-15/h2-4,7-8,11-13,18,21H,5-6,9-10H2,1H3
InChIKeyZCLCWJUAZXXUIJ-UHFFFAOYSA-N
XLogP4.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-2-phenylcyclohexan-1-ol?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-2-phenylcyclohexan-1-ol (CID 79691792) is 1-(3-fluoro-5-methylphenyl)-2-phenylcyclohexan-1-ol.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-2-phenylcyclohexan-1-ol?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-2-phenylcyclohexan-1-ol is Cc1cc(F)cc(C2(O)CCCCC2c2ccccc2)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-2-phenylcyclohexan-1-ol?
The InChIKey is ZCLCWJUAZXXUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO/c1-14-11-16(13-17(20)12-14)19(21)10-6-5-9-18(19)15-7-3-2-4-8-15/h2-4,7-8,11-13,18,21H,5-6,9-10H2,1H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-2-phenylcyclohexan-1-ol?
1-(3-fluoro-5-methylphenyl)-2-phenylcyclohexan-1-ol has a molecular weight of 284.37 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-2-phenylcyclohexan-1-ol is sourced from PubChem (CID 79691792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).