1-[(2-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-ol

C15H20BrFO — CID 65151801

IUPAC1-[(2-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-ol
SMILESCC1CCCC(O)(Cc2ccc(F)cc2Br)CC1
InChIInChI=1S/C15H20BrFO/c1-11-3-2-7-15(18,8-6-11)10-12-4-5-13(17)9-14(12)16/h4-5,9,11,18H,2-3,6-8,10H2,1H3
InChIKeySDOLSQUINLUYSG-UHFFFAOYSA-N
MW315.23 g/mol
LogP4.46
Rot. Bonds2

About 1-[(2-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-ol

1-[(2-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-ol (PubChem CID 65151801) has the molecular formula C15H20BrFO and a molecular weight of 315.23 g/mol. Its IUPAC name is 1-[(2-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-ol.

Molecular Properties

Compound Name1-[(2-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-ol
PubChem CID65151801
Molecular FormulaC15H20BrFO
Molecular Weight315.23 g/mol
Exact Mass314.07
IUPAC Name1-[(2-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-ol
SMILESCC1CCCC(O)(Cc2ccc(F)cc2Br)CC1
InChIInChI=1S/C15H20BrFO/c1-11-3-2-7-15(18,8-6-11)10-12-4-5-13(17)9-14(12)16/h4-5,9,11,18H,2-3,6-8,10H2,1H3
InChIKeySDOLSQUINLUYSG-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

4-[(2-bromo-4-fluorophenyl)methyl]-1-methylazepan-4-ol
CID 65153879
1-[(2-bromo-5-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-ol
CID 65151763
1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclohexane-1-carboxylic acid
CID 65393451
1-[(2-bromo-4-fluorophenyl)methyl]-3,3,5-trimethylcyclohexan-1-ol
CID 65147475
1-[(3-bromo-5-fluorophenyl)methyl]-4-methylcycloheptan-1-ol
CID 79701481
4-[(2-bromo-4-fluorophenyl)methyl]-2-methyloxan-4-ol
CID 65149577
3-[(2-bromo-4-fluorophenyl)methyl]piperidin-3-ol
CID 65145893
1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64514094
[1-[(2-bromo-4-fluorophenyl)methylamino]-3-methylcyclohexyl]methanol
CID 62553023
1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-ol
CID 114346880
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(2-bromo-4-fluorophenyl)ethanone
CID 116604035
1-[(2-bromo-5-fluorophenyl)methyl]cyclopropan-1-ol
CID 117364001

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-ol?
The IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-ol (CID 65151801) is 1-[(2-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-ol.
What is the SMILES notation for 1-[(2-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-ol?
The canonical SMILES for 1-[(2-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-ol is CC1CCCC(O)(Cc2ccc(F)cc2Br)CC1.
What is the InChIKey of 1-[(2-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-ol?
The InChIKey is SDOLSQUINLUYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFO/c1-11-3-2-7-15(18,8-6-11)10-12-4-5-13(17)9-14(12)16/h4-5,9,11,18H,2-3,6-8,10H2,1H3.
What are the key properties of 1-[(2-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-ol?
1-[(2-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-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-[(2-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-ol is sourced from PubChem (CID 65151801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).