1-chloro-3-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxypropan-2-ol

C19H15Br2ClO2 — CID 13158229

IUPAC1-chloro-3-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxypropan-2-ol
SMILESOC(CCl)COc1c(Br)c(Br)c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C19H15Br2ClO2/c20-17-16(12-6-2-1-3-7-12)14-8-4-5-9-15(14)19(18(17)21)24-11-13(23)10-22/h1-9,13,23H,10-11H2
InChIKeySPHOFGFQHACULT-UHFFFAOYSA-N
MW470.59 g/mol
LogP6.01
Rot. Bonds5

About 1-chloro-3-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxypropan-2-ol

1-chloro-3-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxypropan-2-ol (PubChem CID 13158229) has the molecular formula C19H15Br2ClO2 and a molecular weight of 470.59 g/mol. Its IUPAC name is 1-chloro-3-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxypropan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxypropan-2-ol
PubChem CID13158229
Molecular FormulaC19H15Br2ClO2
Molecular Weight470.59 g/mol
Exact Mass467.91
IUPAC Name1-chloro-3-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxypropan-2-ol
SMILESOC(CCl)COc1c(Br)c(Br)c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C19H15Br2ClO2/c20-17-16(12-6-2-1-3-7-12)14-8-4-5-9-15(14)19(18(17)21)24-11-13(23)10-22/h1-9,13,23H,10-11H2
InChIKeySPHOFGFQHACULT-UHFFFAOYSA-N
XLogP6.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.59
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-chloro-3-(2-phenylphenoxy)propan-2-ol
CID 124571669
(2S)-1-(3-bromo-4-phenylphenoxy)-3-chloropropan-2-ol
CID 125487688
1-chloro-3-(2-cyclohexylphenoxy)propan-2-ol
CID 131857261
9-bromo-2-chloro-10-phenylanthracene
CID 90194805
(2R)-1-bromo-3-(4-phenylphenoxy)propan-2-ol
CID 101048888
1-chloro-3-(6,7-dimethoxynaphthalen-1-yl)oxypropan-2-ol
CID 154143132
(2S)-1-(benzylamino)-3-(2-bromo-4-chloro-6-methylphenoxy)propan-2-ol
CID 7176668
1,2-dibromo-3,8-diphenyl-1,2-dihydrocyclobuta[b]naphthalene
CID 4131074
9-bromo-10-(4-methylphenyl)phenanthrene
CID 155481150
2-(3-chloro-2-hydroxypropoxy)xanthen-9-one
CID 10638254
1-[2-(3-chloro-2-hydroxypropoxy)phenyl]-2-hydroxyethanone
CID 21162592
1-chloro-3-[4-[4-(3-chloro-2-hydroxypropoxy)phenyl]sulfanylphenoxy]propan-2-ol
CID 53311158

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxypropan-2-ol?
The IUPAC name of 1-chloro-3-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxypropan-2-ol (CID 13158229) is 1-chloro-3-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxypropan-2-ol.
What is the SMILES notation for 1-chloro-3-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxypropan-2-ol?
The canonical SMILES for 1-chloro-3-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxypropan-2-ol is OC(CCl)COc1c(Br)c(Br)c(-c2ccccc2)c2ccccc12.
What is the InChIKey of 1-chloro-3-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxypropan-2-ol?
The InChIKey is SPHOFGFQHACULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Br2ClO2/c20-17-16(12-6-2-1-3-7-12)14-8-4-5-9-15(14)19(18(17)21)24-11-13(23)10-22/h1-9,13,23H,10-11H2.
What are the key properties of 1-chloro-3-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxypropan-2-ol?
1-chloro-3-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxypropan-2-ol has a molecular weight of 470.59 g/mol, XLogP of 6.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxypropan-2-ol is sourced from PubChem (CID 13158229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).