(4-bromonaphthalen-1-yl)-(3-bromophenyl)methanol

C17H12Br2O — CID 79597081

IUPAC(4-bromonaphthalen-1-yl)-(3-bromophenyl)methanol
SMILESOC(c1cccc(Br)c1)c1ccc(Br)c2ccccc12
InChIInChI=1S/C17H12Br2O/c18-12-5-3-4-11(10-12)17(20)15-8-9-16(19)14-7-2-1-6-13(14)15/h1-10,17,20H
InChIKeyKDNRBZAKDZVRKG-UHFFFAOYSA-N
MW392.09 g/mol
LogP5.45
Rot. Bonds2

About (4-bromonaphthalen-1-yl)-(3-bromophenyl)methanol

(4-bromonaphthalen-1-yl)-(3-bromophenyl)methanol (PubChem CID 79597081) has the molecular formula C17H12Br2O and a molecular weight of 392.09 g/mol. Its IUPAC name is (4-bromonaphthalen-1-yl)-(3-bromophenyl)methanol.

Molecular Properties

Compound Name(4-bromonaphthalen-1-yl)-(3-bromophenyl)methanol
PubChem CID79597081
Molecular FormulaC17H12Br2O
Molecular Weight392.09 g/mol
Exact Mass389.93
IUPAC Name(4-bromonaphthalen-1-yl)-(3-bromophenyl)methanol
SMILESOC(c1cccc(Br)c1)c1ccc(Br)c2ccccc12
InChIInChI=1S/C17H12Br2O/c18-12-5-3-4-11(10-12)17(20)15-8-9-16(19)14-7-2-1-6-13(14)15/h1-10,17,20H
InChIKeyKDNRBZAKDZVRKG-UHFFFAOYSA-N
XLogP5.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.09
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol
CID 79590688
1-bromo-4-[bromo-(3,5-dibromophenyl)methyl]naphthalene
CID 107980963
(3-bromophenyl)-(2-methylphenyl)methanol
CID 60798541
(3-bromophenyl)-(2-ethylphenyl)methanol
CID 91657859
(4-bromonaphthalen-1-yl)-(2-chloro-4-methylphenyl)methanol
CID 106862775
1-bromo-4-[chloro-(3,5-dibromophenyl)methyl]naphthalene
CID 107980964
(4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanol
CID 79590685
(2-bromo-6-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol
CID 114560508
(3-bromo-4-methylphenyl)-(4-methylnaphthalen-1-yl)methanol
CID 81460126
(S)-(3-bromophenyl)-(3,5-difluorophenyl)methanol
CID 94601821
(3-bromophenyl)-(2,5-dimethylphenyl)methanol
CID 61089224
(3-bromophenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105393805

Frequently Asked Questions

What is the IUPAC name of (4-bromonaphthalen-1-yl)-(3-bromophenyl)methanol?
The IUPAC name of (4-bromonaphthalen-1-yl)-(3-bromophenyl)methanol (CID 79597081) is (4-bromonaphthalen-1-yl)-(3-bromophenyl)methanol.
What is the SMILES notation for (4-bromonaphthalen-1-yl)-(3-bromophenyl)methanol?
The canonical SMILES for (4-bromonaphthalen-1-yl)-(3-bromophenyl)methanol is OC(c1cccc(Br)c1)c1ccc(Br)c2ccccc12.
What is the InChIKey of (4-bromonaphthalen-1-yl)-(3-bromophenyl)methanol?
The InChIKey is KDNRBZAKDZVRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Br2O/c18-12-5-3-4-11(10-12)17(20)15-8-9-16(19)14-7-2-1-6-13(14)15/h1-10,17,20H.
What are the key properties of (4-bromonaphthalen-1-yl)-(3-bromophenyl)methanol?
(4-bromonaphthalen-1-yl)-(3-bromophenyl)methanol has a molecular weight of 392.09 g/mol, XLogP of 5.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromonaphthalen-1-yl)-(3-bromophenyl)methanol is sourced from PubChem (CID 79597081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).