(4-chloronaphthalen-1-yl)-(2,4-dibromophenyl)methanol

C17H11Br2ClO — CID 107955684

IUPAC(4-chloronaphthalen-1-yl)-(2,4-dibromophenyl)methanol
SMILESOC(c1ccc(Br)cc1Br)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H11Br2ClO/c18-10-5-6-14(15(19)9-10)17(21)13-7-8-16(20)12-4-2-1-3-11(12)13/h1-9,17,21H
InChIKeyMVGXCMVOZVGPKN-UHFFFAOYSA-N
MW426.54 g/mol
LogP6.10
Rot. Bonds2

About (4-chloronaphthalen-1-yl)-(2,4-dibromophenyl)methanol

(4-chloronaphthalen-1-yl)-(2,4-dibromophenyl)methanol (PubChem CID 107955684) has the molecular formula C17H11Br2ClO and a molecular weight of 426.54 g/mol. Its IUPAC name is (4-chloronaphthalen-1-yl)-(2,4-dibromophenyl)methanol.

Molecular Properties

Compound Name(4-chloronaphthalen-1-yl)-(2,4-dibromophenyl)methanol
PubChem CID107955684
Molecular FormulaC17H11Br2ClO
Molecular Weight426.54 g/mol
Exact Mass423.89
IUPAC Name(4-chloronaphthalen-1-yl)-(2,4-dibromophenyl)methanol
SMILESOC(c1ccc(Br)cc1Br)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H11Br2ClO/c18-10-5-6-14(15(19)9-10)17(21)13-7-8-16(20)12-4-2-1-3-11(12)13/h1-9,17,21H
InChIKeyMVGXCMVOZVGPKN-UHFFFAOYSA-N
XLogP6.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.54
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-4-[chloro-(2,4-dibromophenyl)methyl]naphthalene
CID 107958979
(4-bromonaphthalen-1-yl)-(2-chloro-4-methylphenyl)methanol
CID 106862775
(4-chloronaphthalen-1-yl)-(2-methylphenyl)methanol
CID 79597180
(5-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol
CID 79590688
(3-bromo-5-chloro-2-methoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107955298
(5-bromo-2-chlorophenyl)-(2-bromo-4-methoxyphenyl)methanol
CID 61081523
(2-bromo-4-chlorophenyl)-(2,5-dibromophenyl)methanol
CID 114024842
(4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanol
CID 79590685
(1S)-1-(4-chloronaphthalen-1-yl)ethanol
CID 82758359
(2,4-dibromophenyl)-(2,4,5-trimethylphenyl)methanol
CID 107947548
(3-bromo-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107947925
(3-chloro-5-methylphenyl)-(4-chloronaphthalen-1-yl)methanol
CID 81317253

Frequently Asked Questions

What is the IUPAC name of (4-chloronaphthalen-1-yl)-(2,4-dibromophenyl)methanol?
The IUPAC name of (4-chloronaphthalen-1-yl)-(2,4-dibromophenyl)methanol (CID 107955684) is (4-chloronaphthalen-1-yl)-(2,4-dibromophenyl)methanol.
What is the SMILES notation for (4-chloronaphthalen-1-yl)-(2,4-dibromophenyl)methanol?
The canonical SMILES for (4-chloronaphthalen-1-yl)-(2,4-dibromophenyl)methanol is OC(c1ccc(Br)cc1Br)c1ccc(Cl)c2ccccc12.
What is the InChIKey of (4-chloronaphthalen-1-yl)-(2,4-dibromophenyl)methanol?
The InChIKey is MVGXCMVOZVGPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Br2ClO/c18-10-5-6-14(15(19)9-10)17(21)13-7-8-16(20)12-4-2-1-3-11(12)13/h1-9,17,21H.
What are the key properties of (4-chloronaphthalen-1-yl)-(2,4-dibromophenyl)methanol?
(4-chloronaphthalen-1-yl)-(2,4-dibromophenyl)methanol has a molecular weight of 426.54 g/mol, XLogP of 6.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloronaphthalen-1-yl)-(2,4-dibromophenyl)methanol is sourced from PubChem (CID 107955684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).