(3R)-3-phenyl-3-[2-phenylmethoxy-5-(phenylmethoxymethyl)phenyl]propanoyl chloride

C30H27ClO3 — CID 87321104

IUPAC(3R)-3-phenyl-3-[2-phenylmethoxy-5-(phenylmethoxymethyl)phenyl]propanoyl chloride
SMILESO=C(Cl)C[C@H](c1ccccc1)c1cc(COCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C30H27ClO3/c31-30(32)19-27(26-14-8-3-9-15-26)28-18-25(21-33-20-23-10-4-1-5-11-23)16-17-29(28)34-22-24-12-6-2-7-13-24/h1-18,27H,19-22H2/t27-/m1/s1
InChIKeyCVDGSPCWFICOFW-HHHXNRCGSA-N
MW471.00 g/mol
LogP7.27
Rot. Bonds11

About (3R)-3-phenyl-3-[2-phenylmethoxy-5-(phenylmethoxymethyl)phenyl]propanoyl chloride

(3R)-3-phenyl-3-[2-phenylmethoxy-5-(phenylmethoxymethyl)phenyl]propanoyl chloride (PubChem CID 87321104) has the molecular formula C30H27ClO3 and a molecular weight of 471.00 g/mol. Its IUPAC name is (3R)-3-phenyl-3-[2-phenylmethoxy-5-(phenylmethoxymethyl)phenyl]propanoyl chloride.

Molecular Properties

Compound Name(3R)-3-phenyl-3-[2-phenylmethoxy-5-(phenylmethoxymethyl)phenyl]propanoyl chloride
PubChem CID87321104
Molecular FormulaC30H27ClO3
Molecular Weight471.00 g/mol
Exact Mass470.16
IUPAC Name(3R)-3-phenyl-3-[2-phenylmethoxy-5-(phenylmethoxymethyl)phenyl]propanoyl chloride
SMILESO=C(Cl)C[C@H](c1ccccc1)c1cc(COCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C30H27ClO3/c31-30(32)19-27(26-14-8-3-9-15-26)28-18-25(21-33-20-23-10-4-1-5-11-23)16-17-29(28)34-22-24-12-6-2-7-13-24/h1-18,27H,19-22H2/t27-/m1/s1
InChIKeyCVDGSPCWFICOFW-HHHXNRCGSA-N
XLogP7.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.00
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-3-phenyl-3-[2-phenylmethoxy-5-(phenylmethoxymethyl)phenyl]propanoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-phenyl-4-(2-phenylmethoxyphenyl)butan-2-one
CID 59906121
(4-phenylmethoxy-3-propan-2-ylphenyl) acetate
CID 19030080
[3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-phenylmethoxyphenyl]methanol
CID 15434420
1-[2-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]ethanone
CID 147786681
but-2-enedioic acid;[3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-phenylmethoxyphenyl]methanol
CID 71258122
1-[3-[(1R)-3-amino-1-phenylpropyl]-4-phenylmethoxyphenyl]ethanone
CID 70277293
2-[3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-phenylmethoxyphenyl]ethanol
CID 18357281
[3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-phenylmethoxyphenyl]methanol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 66574889
3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropanal
CID 18357288
3-(5-methyl-2-phenylmethoxyphenyl)-3-phenylpropan-1-ol
CID 11290507
(3R)-3-(5-ethyl-2-phenylmethoxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
CID 142644338
(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
CID 129363475

Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenyl-3-[2-phenylmethoxy-5-(phenylmethoxymethyl)phenyl]propanoyl chloride?
The IUPAC name of (3R)-3-phenyl-3-[2-phenylmethoxy-5-(phenylmethoxymethyl)phenyl]propanoyl chloride (CID 87321104) is (3R)-3-phenyl-3-[2-phenylmethoxy-5-(phenylmethoxymethyl)phenyl]propanoyl chloride.
What is the SMILES notation for (3R)-3-phenyl-3-[2-phenylmethoxy-5-(phenylmethoxymethyl)phenyl]propanoyl chloride?
The canonical SMILES for (3R)-3-phenyl-3-[2-phenylmethoxy-5-(phenylmethoxymethyl)phenyl]propanoyl chloride is O=C(Cl)C[C@H](c1ccccc1)c1cc(COCc2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of (3R)-3-phenyl-3-[2-phenylmethoxy-5-(phenylmethoxymethyl)phenyl]propanoyl chloride?
The InChIKey is CVDGSPCWFICOFW-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H27ClO3/c31-30(32)19-27(26-14-8-3-9-15-26)28-18-25(21-33-20-23-10-4-1-5-11-23)16-17-29(28)34-22-24-12-6-2-7-13-24/h1-18,27H,19-22H2/t27-/m1/s1.
What are the key properties of (3R)-3-phenyl-3-[2-phenylmethoxy-5-(phenylmethoxymethyl)phenyl]propanoyl chloride?
(3R)-3-phenyl-3-[2-phenylmethoxy-5-(phenylmethoxymethyl)phenyl]propanoyl chloride has a molecular weight of 471.00 g/mol, XLogP of 7.27, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenyl-3-[2-phenylmethoxy-5-(phenylmethoxymethyl)phenyl]propanoyl chloride is sourced from PubChem (CID 87321104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).