2-(2-chloro-6-hydroxy-4-phenylmethoxyphenyl)sulfanyl-2-phenyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone

C36H41ClO4SSi — CID 20734903

IUPAC2-(2-chloro-6-hydroxy-4-phenylmethoxyphenyl)sulfanyl-2-phenyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone
SMILESCC(C)[Si](Oc1ccc(C(=O)C(Sc2c(O)cc(OCc3ccccc3)cc2Cl)c2ccccc2)cc1)(C(C)C)C(C)C
InChIInChI=1S/C36H41ClO4SSi/c1-24(2)43(25(3)4,26(5)6)41-30-19-17-28(18-20-30)34(39)35(29-15-11-8-12-16-29)42-36-32(37)21-31(22-33(36)38)40-23-27-13-9-7-10-14-27/h7-22,24-26,35,38H,23H2,1-6H3
InChIKeyUYYVLDFQHRXOOW-UHFFFAOYSA-N
MW633.33 g/mol
LogP10.90
Rot. Bonds13

About 2-(2-chloro-6-hydroxy-4-phenylmethoxyphenyl)sulfanyl-2-phenyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone

2-(2-chloro-6-hydroxy-4-phenylmethoxyphenyl)sulfanyl-2-phenyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone (PubChem CID 20734903) has the molecular formula C36H41ClO4SSi and a molecular weight of 633.33 g/mol. Its IUPAC name is 2-(2-chloro-6-hydroxy-4-phenylmethoxyphenyl)sulfanyl-2-phenyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-hydroxy-4-phenylmethoxyphenyl)sulfanyl-2-phenyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone
PubChem CID20734903
Molecular FormulaC36H41ClO4SSi
Molecular Weight633.33 g/mol
Exact Mass632.22
IUPAC Name2-(2-chloro-6-hydroxy-4-phenylmethoxyphenyl)sulfanyl-2-phenyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone
SMILESCC(C)[Si](Oc1ccc(C(=O)C(Sc2c(O)cc(OCc3ccccc3)cc2Cl)c2ccccc2)cc1)(C(C)C)C(C)C
InChIInChI=1S/C36H41ClO4SSi/c1-24(2)43(25(3)4,26(5)6)41-30-19-17-28(18-20-30)34(39)35(29-15-11-8-12-16-29)42-36-32(37)21-31(22-33(36)38)40-23-27-13-9-7-10-14-27/h7-22,24-26,35,38H,23H2,1-6H3
InChIKeyUYYVLDFQHRXOOW-UHFFFAOYSA-N
XLogP10.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.33
LogP ≤ 510.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxy-6-methyl-4-phenylmethoxyphenyl)sulfanyl-1-(4-hydroxyphenyl)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethanone
CID 20734909
2-(2-hydroxy-3-methyl-5-phenylmethoxyphenyl)sulfanyl-2-phenyl-1-(4-phosphanylsulfanyloxyphenyl)ethanone
CID 20734940
1,2-bis(4-phenylmethoxyphenyl)butan-1-one
CID 70452916
2-[[(1R)-1-phenylethyl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one
CID 69303198
(NE)-N-[[3-chloro-2-phenylmethoxy-5-tri(propan-2-yl)silyloxyphenyl]methylidene]hydroxylamine
CID 58878865
2-(2-hydroxyphenyl)sulfanyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone
CID 67277297
N-methyl-4-phenylmethoxybenzamide
CID 2996745
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672
3,4-dichloro-N-[(2S)-1-(4-phenylmethoxyphenyl)propan-2-yl]benzamide
CID 70988226
Ethyl 3-[4-(benzyloxy)phenyl]-2-methyl-3-oxopropanoate lithium salt
CID 69109805
1-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-2,3-dihydroxypropan-1-one
CID 175442938
4-phenylmethoxybenzoic acid
CID 68896574

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-hydroxy-4-phenylmethoxyphenyl)sulfanyl-2-phenyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone?
The IUPAC name of 2-(2-chloro-6-hydroxy-4-phenylmethoxyphenyl)sulfanyl-2-phenyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone (CID 20734903) is 2-(2-chloro-6-hydroxy-4-phenylmethoxyphenyl)sulfanyl-2-phenyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone.
What is the SMILES notation for 2-(2-chloro-6-hydroxy-4-phenylmethoxyphenyl)sulfanyl-2-phenyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone?
The canonical SMILES for 2-(2-chloro-6-hydroxy-4-phenylmethoxyphenyl)sulfanyl-2-phenyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone is CC(C)[Si](Oc1ccc(C(=O)C(Sc2c(O)cc(OCc3ccccc3)cc2Cl)c2ccccc2)cc1)(C(C)C)C(C)C.
What is the InChIKey of 2-(2-chloro-6-hydroxy-4-phenylmethoxyphenyl)sulfanyl-2-phenyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone?
The InChIKey is UYYVLDFQHRXOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41ClO4SSi/c1-24(2)43(25(3)4,26(5)6)41-30-19-17-28(18-20-30)34(39)35(29-15-11-8-12-16-29)42-36-32(37)21-31(22-33(36)38)40-23-27-13-9-7-10-14-27/h7-22,24-26,35,38H,23H2,1-6H3.
What are the key properties of 2-(2-chloro-6-hydroxy-4-phenylmethoxyphenyl)sulfanyl-2-phenyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone?
2-(2-chloro-6-hydroxy-4-phenylmethoxyphenyl)sulfanyl-2-phenyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone has a molecular weight of 633.33 g/mol, XLogP of 10.90, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-hydroxy-4-phenylmethoxyphenyl)sulfanyl-2-phenyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone is sourced from PubChem (CID 20734903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).