2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenyl]sulfanylethanol

C24H23ClOS — CID 59070243

IUPAC2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenyl]sulfanylethanol
SMILESOCCSc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H23ClOS/c25-16-15-23(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)21-11-13-22(14-12-21)27-18-17-26/h1-14,26H,15-18H2/b24-23-
InChIKeyBHNDRXNBYHXZQX-VHXPQNKSSA-N
MW394.97 g/mol
LogP6.36
Rot. Bonds8

About 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenyl]sulfanylethanol

2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenyl]sulfanylethanol (PubChem CID 59070243) has the molecular formula C24H23ClOS and a molecular weight of 394.97 g/mol. Its IUPAC name is 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenyl]sulfanylethanol.

Molecular Properties

Compound Name2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenyl]sulfanylethanol
PubChem CID59070243
Molecular FormulaC24H23ClOS
Molecular Weight394.97 g/mol
Exact Mass394.12
IUPAC Name2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenyl]sulfanylethanol
SMILESOCCSc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H23ClOS/c25-16-15-23(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)21-11-13-22(14-12-21)27-18-17-26/h1-14,26H,15-18H2/b24-23-
InChIKeyBHNDRXNBYHXZQX-VHXPQNKSSA-N
XLogP6.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.97
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenol;2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol;propan-1-ol
CID 161238047
benzoic acid;2-phenylsulfanylethanol
CID 71357973
4-[4-(2-hydroxyethylsulfanyl)phenyl]-4-oxobutanoic acid
CID 82165387
2-[4-[(E)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 6536897
1-(4-chloro-1,2-diphenylbut-1-enyl)-4-ethoxybenzene;methanamine
CID 175021348
4-[1-[4-(2-aminoethoxy)phenyl]-4-chloro-1-phenylbut-1-en-2-yl]phenol
CID 165015784
bis[4-(2-hydroxyethylsulfanyl)phenyl]methanone
CID 139889222
2-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]-diphenylsilyl]phenyl]sulfanylethanol
CID 167438184
4-[(E)-4-chloro-1-phenyl-1-[4-(2-phenylmethoxyethoxy)phenyl]but-1-en-2-yl]phenol
CID 22504567
2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]phenyl]sulfanylethanol
CID 2192654
2-[2-[4-[(E)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164671924
1-chloro-4-[(Z)-4-chloro-2-phenyl-1-[4-(2-phenylmethoxyethoxy)phenyl]but-1-enyl]benzene
CID 22504532

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenyl]sulfanylethanol?
The IUPAC name of 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenyl]sulfanylethanol (CID 59070243) is 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenyl]sulfanylethanol.
What is the SMILES notation for 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenyl]sulfanylethanol?
The canonical SMILES for 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenyl]sulfanylethanol is OCCSc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenyl]sulfanylethanol?
The InChIKey is BHNDRXNBYHXZQX-VHXPQNKSSA-N. The full InChI is InChI=1S/C24H23ClOS/c25-16-15-23(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)21-11-13-22(14-12-21)27-18-17-26/h1-14,26H,15-18H2/b24-23-.
What are the key properties of 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenyl]sulfanylethanol?
2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenyl]sulfanylethanol has a molecular weight of 394.97 g/mol, XLogP of 6.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenyl]sulfanylethanol is sourced from PubChem (CID 59070243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).