bis[4-[(2R)-3-chloro-2-hydroxypropoxy]phenyl]methanone

C19H20Cl2O5 — CID 53311159

IUPACbis[4-[(2R)-3-chloro-2-hydroxypropoxy]phenyl]methanone
SMILESO=C(c1ccc(OC[C@@H](O)CCl)cc1)c1ccc(OC[C@@H](O)CCl)cc1
InChIInChI=1S/C19H20Cl2O5/c20-9-15(22)11-25-17-5-1-13(2-6-17)19(24)14-3-7-18(8-4-14)26-12-16(23)10-21/h1-8,15-16,22-23H,9-12H2/t15-,16-/m0/s1
InChIKeyZXDFVZDIXRYEHA-HOTGVXAUSA-N
MW399.27 g/mol
LogP2.87
Rot. Bonds10

About bis[4-[(2R)-3-chloro-2-hydroxypropoxy]phenyl]methanone

bis[4-[(2R)-3-chloro-2-hydroxypropoxy]phenyl]methanone (PubChem CID 53311159) has the molecular formula C19H20Cl2O5 and a molecular weight of 399.27 g/mol. Its IUPAC name is bis[4-[(2R)-3-chloro-2-hydroxypropoxy]phenyl]methanone.

Molecular Properties

Compound Namebis[4-[(2R)-3-chloro-2-hydroxypropoxy]phenyl]methanone
PubChem CID53311159
Molecular FormulaC19H20Cl2O5
Molecular Weight399.27 g/mol
Exact Mass398.07
IUPAC Namebis[4-[(2R)-3-chloro-2-hydroxypropoxy]phenyl]methanone
SMILESO=C(c1ccc(OC[C@@H](O)CCl)cc1)c1ccc(OC[C@@H](O)CCl)cc1
InChIInChI=1S/C19H20Cl2O5/c20-9-15(22)11-25-17-5-1-13(2-6-17)19(24)14-3-7-18(8-4-14)26-12-16(23)10-21/h1-8,15-16,22-23H,9-12H2/t15-,16-/m0/s1
InChIKeyZXDFVZDIXRYEHA-HOTGVXAUSA-N
XLogP2.87
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

chloromethane;[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone;hydrate
CID 66916242
1-chloro-3-[4-[4-(3-chloro-2-hydroxypropoxy)phenyl]sulfanylphenoxy]propan-2-ol
CID 53311158
1-chloro-3-[4-[1-[4-(3-chloro-2-hydroxypropoxy)phenyl]ethyl]phenoxy]propan-2-ol
CID 101328609
chloromethane;[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone;(4-methylphenyl)-phenylmethanone
CID 158757358
(4-chlorophenyl)-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methanone
CID 70524382
[3-[4-[4-(3-but-2-enoyloxy-2-hydroxypropoxy)benzoyl]phenoxy]-2-hydroxypropyl] but-2-enoate
CID 141091325
4-(3-fluoro-2-hydroxypropoxy)benzoic acid
CID 155165109
1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone
CID 11255678
(4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 786610
(4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 5023093
1-[4-[[4-(3-chloro-2-hydroxypropoxy)phenyl]methyl]phenoxy]butan-2-ol;ethane
CID 143919870
(2R)-1-[4-[[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]-difluoromethyl]phenoxy]-3-fluoropropan-2-ol
CID 89407084

Frequently Asked Questions

What is the IUPAC name of bis[4-[(2R)-3-chloro-2-hydroxypropoxy]phenyl]methanone?
The IUPAC name of bis[4-[(2R)-3-chloro-2-hydroxypropoxy]phenyl]methanone (CID 53311159) is bis[4-[(2R)-3-chloro-2-hydroxypropoxy]phenyl]methanone.
What is the SMILES notation for bis[4-[(2R)-3-chloro-2-hydroxypropoxy]phenyl]methanone?
The canonical SMILES for bis[4-[(2R)-3-chloro-2-hydroxypropoxy]phenyl]methanone is O=C(c1ccc(OC[C@@H](O)CCl)cc1)c1ccc(OC[C@@H](O)CCl)cc1.
What is the InChIKey of bis[4-[(2R)-3-chloro-2-hydroxypropoxy]phenyl]methanone?
The InChIKey is ZXDFVZDIXRYEHA-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H20Cl2O5/c20-9-15(22)11-25-17-5-1-13(2-6-17)19(24)14-3-7-18(8-4-14)26-12-16(23)10-21/h1-8,15-16,22-23H,9-12H2/t15-,16-/m0/s1.
What are the key properties of bis[4-[(2R)-3-chloro-2-hydroxypropoxy]phenyl]methanone?
bis[4-[(2R)-3-chloro-2-hydroxypropoxy]phenyl]methanone has a molecular weight of 399.27 g/mol, XLogP of 2.87, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[(2R)-3-chloro-2-hydroxypropoxy]phenyl]methanone is sourced from PubChem (CID 53311159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).