1-[(3-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol

C15H20BrFO — CID 79701214

IUPAC1-[(3-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(Cc2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C15H20BrFO/c1-14(2)3-5-15(18,6-4-14)10-11-7-12(16)9-13(17)8-11/h7-9,18H,3-6,10H2,1-2H3
InChIKeySVCCEKVOLNFTNW-UHFFFAOYSA-N
MW315.23 g/mol
LogP4.46
Rot. Bonds2

About 1-[(3-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol

1-[(3-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 79701214) has the molecular formula C15H20BrFO and a molecular weight of 315.23 g/mol. Its IUPAC name is 1-[(3-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol
PubChem CID79701214
Molecular FormulaC15H20BrFO
Molecular Weight315.23 g/mol
Exact Mass314.07
IUPAC Name1-[(3-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(Cc2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C15H20BrFO/c1-14(2)3-5-15(18,6-4-14)10-11-7-12(16)9-13(17)8-11/h7-9,18H,3-6,10H2,1-2H3
InChIKeySVCCEKVOLNFTNW-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-bromo-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 79701739
1-[(3-bromo-5-fluorophenyl)methyl]-4-methylcycloheptan-1-ol
CID 79701481
3-[(3-bromo-5-fluorophenyl)methyl]thietan-3-ol
CID 131076372
3-[(3-bromo-5-fluorophenyl)methyl]oxetan-3-ol
CID 164649441
1-[(3-bromo-5-fluorophenyl)methyl]-4-tert-butylcycloheptan-1-ol
CID 79699253
2-(3-bromo-5-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750349
1-[(3-bromo-5-fluorophenyl)methyl]cyclopropan-1-amine
CID 79711556
3-[(3-bromo-5-fluorophenyl)methyl]-3-methylazetidine
CID 79711008
1-[(5-bromo-3-pyridinyl)methyl]-4,4-dimethylcycloheptan-1-ol
CID 113454948
3-[(3,5-difluorophenyl)methyl]-5,5-dimethylthian-3-ol
CID 105402645
1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
CID 105402555
1-[(3-bromo-5-fluorophenyl)methyl]-2,5-dimethylcyclohexan-1-ol
CID 79702276

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(3-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol (CID 79701214) is 1-[(3-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(3-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(3-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol is CC1(C)CCC(O)(Cc2cc(F)cc(Br)c2)CC1.
What is the InChIKey of 1-[(3-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is SVCCEKVOLNFTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFO/c1-14(2)3-5-15(18,6-4-14)10-11-7-12(16)9-13(17)8-11/h7-9,18H,3-6,10H2,1-2H3.
What are the key properties of 1-[(3-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol?
1-[(3-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 315.23 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79701214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).