1-(4-fluoro-2-methylphenyl)-4-propan-2-ylcyclohexan-1-ol

C16H23FO — CID 63407272

IUPAC1-(4-fluoro-2-methylphenyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCc1cc(F)ccc1C1(O)CCC(C(C)C)CC1
InChIInChI=1S/C16H23FO/c1-11(2)13-6-8-16(18,9-7-13)15-5-4-14(17)10-12(15)3/h4-5,10-11,13,18H,6-9H2,1-3H3
InChIKeySESQFCHBYWPGMY-UHFFFAOYSA-N
MW250.36 g/mol
LogP4.17
Rot. Bonds2

About 1-(4-fluoro-2-methylphenyl)-4-propan-2-ylcyclohexan-1-ol

1-(4-fluoro-2-methylphenyl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 63407272) has the molecular formula C16H23FO and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID63407272
Molecular FormulaC16H23FO
Molecular Weight250.36 g/mol
Exact Mass250.17
IUPAC Name1-(4-fluoro-2-methylphenyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCc1cc(F)ccc1C1(O)CCC(C(C)C)CC1
InChIInChI=1S/C16H23FO/c1-11(2)13-6-8-16(18,9-7-13)15-5-4-14(17)10-12(15)3/h4-5,10-11,13,18H,6-9H2,1-3H3
InChIKeySESQFCHBYWPGMY-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-propan-2-ylcyclohexan-1-ol (CID 63407272) is 1-(4-fluoro-2-methylphenyl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-4-propan-2-ylcyclohexan-1-ol is Cc1cc(F)ccc1C1(O)CCC(C(C)C)CC1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is SESQFCHBYWPGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO/c1-11(2)13-6-8-16(18,9-7-13)15-5-4-14(17)10-12(15)3/h4-5,10-11,13,18H,6-9H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-4-propan-2-ylcyclohexan-1-ol?
1-(4-fluoro-2-methylphenyl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 250.36 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 63407272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).