2-[(4-bromophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol

C17H17BrO — CID 60797695

IUPAC2-[(4-bromophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
SMILESOC1(Cc2ccc(Br)cc2)CCc2ccccc2C1
InChIInChI=1S/C17H17BrO/c18-16-7-5-13(6-8-16)11-17(19)10-9-14-3-1-2-4-15(14)12-17/h1-8,19H,9-12H2
InChIKeyGPCHNEGUOGEFOJ-UHFFFAOYSA-N
MW317.23 g/mol
LogP3.91
Rot. Bonds2

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

2-[(4-bromophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 60797695) has the molecular formula C17H17BrO and a molecular weight of 317.23 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID60797695
Molecular FormulaC17H17BrO
Molecular Weight317.23 g/mol
Exact Mass316.05
IUPAC Name2-[(4-bromophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
SMILESOC1(Cc2ccc(Br)cc2)CCc2ccccc2C1
InChIInChI=1S/C17H17BrO/c18-16-7-5-13(6-8-16)11-17(19)10-9-14-3-1-2-4-15(14)12-17/h1-8,19H,9-12H2
InChIKeyGPCHNEGUOGEFOJ-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 2-[(4-bromophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol (CID 60797695) is 2-[(4-bromophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol is OC1(Cc2ccc(Br)cc2)CCc2ccccc2C1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is GPCHNEGUOGEFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO/c18-16-7-5-13(6-8-16)11-17(19)10-9-14-3-1-2-4-15(14)12-17/h1-8,19H,9-12H2.
What are the key properties of 2-[(4-bromophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
2-[(4-bromophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 317.23 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 60797695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).