2-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol

C17H16BrFO — CID 65146307

IUPAC2-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
SMILESOC1(Cc2cc(F)ccc2Br)CCc2ccccc2C1
InChIInChI=1S/C17H16BrFO/c18-16-6-5-15(19)9-14(16)11-17(20)8-7-12-3-1-2-4-13(12)10-17/h1-6,9,20H,7-8,10-11H2
InChIKeyZDHFCPJCENXBOF-UHFFFAOYSA-N
MW335.22 g/mol
LogP4.05
Rot. Bonds2

About 2-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol

2-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 65146307) has the molecular formula C17H16BrFO and a molecular weight of 335.22 g/mol. Its IUPAC name is 2-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name2-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID65146307
Molecular FormulaC17H16BrFO
Molecular Weight335.22 g/mol
Exact Mass334.04
IUPAC Name2-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
SMILESOC1(Cc2cc(F)ccc2Br)CCc2ccccc2C1
InChIInChI=1S/C17H16BrFO/c18-16-6-5-15(19)9-14(16)11-17(20)8-7-12-3-1-2-4-13(12)10-17/h1-6,9,20H,7-8,10-11H2
InChIKeyZDHFCPJCENXBOF-UHFFFAOYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-bromo-5-fluorophenyl)methyl]cyclopropan-1-ol
CID 117364001
2-[(2-bromo-5-fluorophenyl)methyl]-1,3-dihydroinden-2-amine
CID 62621612
2-[(2-bromo-5-fluorophenyl)methyl]-1,3-dihydroindene-2-carboxylic acid
CID 65409108
2-[(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 114851797
6-bromo-2-[(2,4-difluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 63633059
2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-ol
CID 65147155
2-[(4-bromophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 60797695
[1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methanamine
CID 62723685
1-[(2-bromo-5-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-ol
CID 65151763
2-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 106866083
1-[(2-bromo-5-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 65147531
2-[(5-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
CID 105373089

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 2-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol (CID 65146307) is 2-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 2-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 2-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol is OC1(Cc2cc(F)ccc2Br)CCc2ccccc2C1.
What is the InChIKey of 2-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is ZDHFCPJCENXBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFO/c18-16-6-5-15(19)9-14(16)11-17(20)8-7-12-3-1-2-4-13(12)10-17/h1-6,9,20H,7-8,10-11H2.
What are the key properties of 2-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
2-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 335.22 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 65146307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).