2-[(3-bromophenyl)methyl]-3-(3,4-dichlorophenyl)propan-1-ol

C16H15BrCl2O — CID 66059500

IUPAC2-[(3-bromophenyl)methyl]-3-(3,4-dichlorophenyl)propan-1-ol
SMILESOCC(Cc1cccc(Br)c1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15BrCl2O/c17-14-3-1-2-11(8-14)6-13(10-20)7-12-4-5-15(18)16(19)9-12/h1-5,8-9,13,20H,6-7,10H2
InChIKeyOVTURCFHRMNWPN-UHFFFAOYSA-N
MW374.11 g/mol
LogP5.15
Rot. Bonds5

About 2-[(3-bromophenyl)methyl]-3-(3,4-dichlorophenyl)propan-1-ol

2-[(3-bromophenyl)methyl]-3-(3,4-dichlorophenyl)propan-1-ol (PubChem CID 66059500) has the molecular formula C16H15BrCl2O and a molecular weight of 374.11 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-3-(3,4-dichlorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-3-(3,4-dichlorophenyl)propan-1-ol
PubChem CID66059500
Molecular FormulaC16H15BrCl2O
Molecular Weight374.11 g/mol
Exact Mass371.97
IUPAC Name2-[(3-bromophenyl)methyl]-3-(3,4-dichlorophenyl)propan-1-ol
SMILESOCC(Cc1cccc(Br)c1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15BrCl2O/c17-14-3-1-2-11(8-14)6-13(10-20)7-12-4-5-15(18)16(19)9-12/h1-5,8-9,13,20H,6-7,10H2
InChIKeyOVTURCFHRMNWPN-UHFFFAOYSA-N
XLogP5.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.11
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol;hydrochloride
CID 86811592
2-[(3-bromophenyl)methyl]-3-(5-bromo-2-pyridinyl)propan-1-ol
CID 104813182
2-[(3-bromophenyl)methyl]-4-ethylhexan-1-ol
CID 82934582
2-[(3-bromophenyl)methyl]-3-(2-fluorophenyl)propan-1-ol
CID 66059292
2-[(3-bromophenyl)methyl]-3-(2,4,6-trimethylphenyl)propan-1-ol
CID 66058873
4-[2-[(3-bromophenyl)methyl]-3-chloropropyl]-2-chloro-1-fluorobenzene
CID 103042042
2-[(3-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 66057828
2-[(3,4-dichlorophenyl)methyl]pentan-1-ol
CID 66060036
2-[(3-bromophenyl)methyl]-3-(4-chloro-3-fluorophenyl)-N-methylpropan-1-amine
CID 107897206
2-[(3-bromophenyl)methyl]-5,5-dimethylhexan-1-ol
CID 66060363
2-[(3-bromophenyl)methyl]-6-methylheptan-1-ol
CID 83168879
4-[2-[(4-bromophenyl)methyl]-3-chloropropyl]-1,2-dichlorobenzene
CID 66035939

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-3-(3,4-dichlorophenyl)propan-1-ol?
The IUPAC name of 2-[(3-bromophenyl)methyl]-3-(3,4-dichlorophenyl)propan-1-ol (CID 66059500) is 2-[(3-bromophenyl)methyl]-3-(3,4-dichlorophenyl)propan-1-ol.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-3-(3,4-dichlorophenyl)propan-1-ol?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-3-(3,4-dichlorophenyl)propan-1-ol is OCC(Cc1cccc(Br)c1)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-3-(3,4-dichlorophenyl)propan-1-ol?
The InChIKey is OVTURCFHRMNWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2O/c17-14-3-1-2-11(8-14)6-13(10-20)7-12-4-5-15(18)16(19)9-12/h1-5,8-9,13,20H,6-7,10H2.
What are the key properties of 2-[(3-bromophenyl)methyl]-3-(3,4-dichlorophenyl)propan-1-ol?
2-[(3-bromophenyl)methyl]-3-(3,4-dichlorophenyl)propan-1-ol has a molecular weight of 374.11 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-3-(3,4-dichlorophenyl)propan-1-ol is sourced from PubChem (CID 66059500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).