4-[1-(3,4-difluorophenyl)-4-methylcyclohexyl]phenol

C19H20F2O — CID 149126952

IUPAC4-[1-(3,4-difluorophenyl)-4-methylcyclohexyl]phenol
SMILESCC1CCC(c2ccc(O)cc2)(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C19H20F2O/c1-13-8-10-19(11-9-13,14-2-5-16(22)6-3-14)15-4-7-17(20)18(21)12-15/h2-7,12-13,22H,8-11H2,1H3
InChIKeyRBBWMVUFHTYYDV-UHFFFAOYSA-N
MW302.36 g/mol
LogP5.17
Rot. Bonds2

About 4-[1-(3,4-difluorophenyl)-4-methylcyclohexyl]phenol

4-[1-(3,4-difluorophenyl)-4-methylcyclohexyl]phenol (PubChem CID 149126952) has the molecular formula C19H20F2O and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-[1-(3,4-difluorophenyl)-4-methylcyclohexyl]phenol.

Molecular Properties

Compound Name4-[1-(3,4-difluorophenyl)-4-methylcyclohexyl]phenol
PubChem CID149126952
Molecular FormulaC19H20F2O
Molecular Weight302.36 g/mol
Exact Mass302.15
IUPAC Name4-[1-(3,4-difluorophenyl)-4-methylcyclohexyl]phenol
SMILESCC1CCC(c2ccc(O)cc2)(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C19H20F2O/c1-13-8-10-19(11-9-13,14-2-5-16(22)6-3-14)15-4-7-17(20)18(21)12-15/h2-7,12-13,22H,8-11H2,1H3
InChIKeyRBBWMVUFHTYYDV-UHFFFAOYSA-N
XLogP5.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.36
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-difluorophenyl)-4-methylcycloheptan-1-ol
CID 65084915
1-methyl-4-[4-methyl-1-(4-methylphenyl)cyclohexyl]benzene
CID 54434064
4-[(3R,4R)-1-(4-hydroxyphenyl)-3,4-dimethylcyclohexyl]phenol
CID 2303370
4-[4-[2-[3,5-bis[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol
CID 59283725
4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexyl]phenol
CID 139952370
4-[4-[4,4-bis(4-hydroxyphenyl)cyclohexyl]-1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[4-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol
CID 158636490
4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]phenol
CID 11034267
1-(4-chloro-3-fluorophenyl)-4-methylcyclohexan-1-ol
CID 143626038
4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]benzene-1,2-diol
CID 139833129
4-[4-(4-ethylcyclohexyl)-1-(4-hydroxyphenyl)cyclohexyl]phenol
CID 19873642
ethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol
CID 144989464
4-[1-(4-hydroxyphenyl)cyclotridecyl]phenol
CID 59289752

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4-difluorophenyl)-4-methylcyclohexyl]phenol?
The IUPAC name of 4-[1-(3,4-difluorophenyl)-4-methylcyclohexyl]phenol (CID 149126952) is 4-[1-(3,4-difluorophenyl)-4-methylcyclohexyl]phenol.
What is the SMILES notation for 4-[1-(3,4-difluorophenyl)-4-methylcyclohexyl]phenol?
The canonical SMILES for 4-[1-(3,4-difluorophenyl)-4-methylcyclohexyl]phenol is CC1CCC(c2ccc(O)cc2)(c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 4-[1-(3,4-difluorophenyl)-4-methylcyclohexyl]phenol?
The InChIKey is RBBWMVUFHTYYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2O/c1-13-8-10-19(11-9-13,14-2-5-16(22)6-3-14)15-4-7-17(20)18(21)12-15/h2-7,12-13,22H,8-11H2,1H3.
What are the key properties of 4-[1-(3,4-difluorophenyl)-4-methylcyclohexyl]phenol?
4-[1-(3,4-difluorophenyl)-4-methylcyclohexyl]phenol has a molecular weight of 302.36 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4-difluorophenyl)-4-methylcyclohexyl]phenol is sourced from PubChem (CID 149126952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).