1-[(Z)-5,5-difluoro-4-(3-methylphenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene

C25H24F2OS — CID 162623344

IUPAC1-[(Z)-5,5-difluoro-4-(3-methylphenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene
SMILESCc1cccc(S/C(=C\CCc2ccc(OCc3ccccc3)cc2)C(F)F)c1
InChIInChI=1S/C25H24F2OS/c1-19-7-5-11-23(17-19)29-24(25(26)27)12-6-10-20-13-15-22(16-14-20)28-18-21-8-3-2-4-9-21/h2-5,7-9,11-17,25H,6,10,18H2,1H3/b24-12-
InChIKeyDYVXISXSXULLKH-MSXFZWOLSA-N
MW410.53 g/mol
LogP7.45
Rot. Bonds9

About 1-[(Z)-5,5-difluoro-4-(3-methylphenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene

1-[(Z)-5,5-difluoro-4-(3-methylphenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene (PubChem CID 162623344) has the molecular formula C25H24F2OS and a molecular weight of 410.53 g/mol. Its IUPAC name is 1-[(Z)-5,5-difluoro-4-(3-methylphenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-[(Z)-5,5-difluoro-4-(3-methylphenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene
PubChem CID162623344
Molecular FormulaC25H24F2OS
Molecular Weight410.53 g/mol
Exact Mass410.15
IUPAC Name1-[(Z)-5,5-difluoro-4-(3-methylphenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene
SMILESCc1cccc(S/C(=C\CCc2ccc(OCc3ccccc3)cc2)C(F)F)c1
InChIInChI=1S/C25H24F2OS/c1-19-7-5-11-23(17-19)29-24(25(26)27)12-6-10-20-13-15-22(16-14-20)28-18-21-8-3-2-4-9-21/h2-5,7-9,11-17,25H,6,10,18H2,1H3/b24-12-
InChIKeyDYVXISXSXULLKH-MSXFZWOLSA-N
XLogP7.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.53
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanylpropanoate
CID 175255626
(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol
CID 93002881
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
1-methyl-3-[[4-[[4-[(3-methylphenyl)methoxy]phenyl]disulfanyl]phenoxy]methyl]benzene
CID 146262404
(2R)-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]butanamide
CID 163564541
N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine
CID 19885180
1-(3-fluoropropyl)-4-phenylmethoxybenzene
CID 83932928
2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 175893431
1-(3,4-dimethylpentyl)-4-phenylmethoxybenzene
CID 57147000
3-(3-methylphenyl)-3-(4-phenylmethoxyphenyl)propanal
CID 174459795
(3-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175339
1-(3-methoxypropyl)-4-phenylmethoxybenzene
CID 70548198

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-5,5-difluoro-4-(3-methylphenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene?
The IUPAC name of 1-[(Z)-5,5-difluoro-4-(3-methylphenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene (CID 162623344) is 1-[(Z)-5,5-difluoro-4-(3-methylphenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene.
What is the SMILES notation for 1-[(Z)-5,5-difluoro-4-(3-methylphenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene?
The canonical SMILES for 1-[(Z)-5,5-difluoro-4-(3-methylphenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene is Cc1cccc(S/C(=C\CCc2ccc(OCc3ccccc3)cc2)C(F)F)c1.
What is the InChIKey of 1-[(Z)-5,5-difluoro-4-(3-methylphenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene?
The InChIKey is DYVXISXSXULLKH-MSXFZWOLSA-N. The full InChI is InChI=1S/C25H24F2OS/c1-19-7-5-11-23(17-19)29-24(25(26)27)12-6-10-20-13-15-22(16-14-20)28-18-21-8-3-2-4-9-21/h2-5,7-9,11-17,25H,6,10,18H2,1H3/b24-12-.
What are the key properties of 1-[(Z)-5,5-difluoro-4-(3-methylphenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene?
1-[(Z)-5,5-difluoro-4-(3-methylphenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene has a molecular weight of 410.53 g/mol, XLogP of 7.45, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-5,5-difluoro-4-(3-methylphenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene is sourced from PubChem (CID 162623344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).