1-[4-(3-ethylphenyl)phenyl]sulfanyl-3-methylbutan-2-ol

C19H24OS — CID 143448995

IUPAC1-[4-(3-ethylphenyl)phenyl]sulfanyl-3-methylbutan-2-ol
SMILESCCc1cccc(-c2ccc(SCC(O)C(C)C)cc2)c1
InChIInChI=1S/C19H24OS/c1-4-15-6-5-7-17(12-15)16-8-10-18(11-9-16)21-13-19(20)14(2)3/h5-12,14,19-20H,4,13H2,1-3H3
InChIKeyVYGBTHOXNCNYBZ-UHFFFAOYSA-N
MW300.47 g/mol
LogP5.03
Rot. Bonds6

About 1-[4-(3-ethylphenyl)phenyl]sulfanyl-3-methylbutan-2-ol

1-[4-(3-ethylphenyl)phenyl]sulfanyl-3-methylbutan-2-ol (PubChem CID 143448995) has the molecular formula C19H24OS and a molecular weight of 300.47 g/mol. Its IUPAC name is 1-[4-(3-ethylphenyl)phenyl]sulfanyl-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[4-(3-ethylphenyl)phenyl]sulfanyl-3-methylbutan-2-ol
PubChem CID143448995
Molecular FormulaC19H24OS
Molecular Weight300.47 g/mol
Exact Mass300.15
IUPAC Name1-[4-(3-ethylphenyl)phenyl]sulfanyl-3-methylbutan-2-ol
SMILESCCc1cccc(-c2ccc(SCC(O)C(C)C)cc2)c1
InChIInChI=1S/C19H24OS/c1-4-15-6-5-7-17(12-15)16-8-10-18(11-9-16)21-13-19(20)14(2)3/h5-12,14,19-20H,4,13H2,1-3H3
InChIKeyVYGBTHOXNCNYBZ-UHFFFAOYSA-N
XLogP5.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.47
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-methyl-1-(4-methylphenyl)sulfanylbutan-2-ol
CID 11401570
1-ethyl-3-phenylbenzene;propane
CID 145466525
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122
1-(3-bromophenyl)-4-(3-ethylphenyl)benzene
CID 143388635
1-ethyl-3-[4-(iodomethyl)phenyl]benzene
CID 138533012
1-buta-1,3-diynyl-4-(3-ethylphenyl)benzene
CID 139636229
2-[3-(3-ethylphenyl)phenyl]propanoic acid
CID 176514342
1-[3-[(cyclopropylamino)methyl]phenyl]sulfanyl-3-methylbutan-2-ol
CID 114250004
4-(3-ethylphenyl)benzamide
CID 54454087
S-[3-(3-ethylphenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170821493
1-[3-(4-ethylphenyl)phenyl]ethanamine
CID 55134062
1-(3-ethylphenyl)propan-2-ol
CID 85092525

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethylphenyl)phenyl]sulfanyl-3-methylbutan-2-ol?
The IUPAC name of 1-[4-(3-ethylphenyl)phenyl]sulfanyl-3-methylbutan-2-ol (CID 143448995) is 1-[4-(3-ethylphenyl)phenyl]sulfanyl-3-methylbutan-2-ol.
What is the SMILES notation for 1-[4-(3-ethylphenyl)phenyl]sulfanyl-3-methylbutan-2-ol?
The canonical SMILES for 1-[4-(3-ethylphenyl)phenyl]sulfanyl-3-methylbutan-2-ol is CCc1cccc(-c2ccc(SCC(O)C(C)C)cc2)c1.
What is the InChIKey of 1-[4-(3-ethylphenyl)phenyl]sulfanyl-3-methylbutan-2-ol?
The InChIKey is VYGBTHOXNCNYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24OS/c1-4-15-6-5-7-17(12-15)16-8-10-18(11-9-16)21-13-19(20)14(2)3/h5-12,14,19-20H,4,13H2,1-3H3.
What are the key properties of 1-[4-(3-ethylphenyl)phenyl]sulfanyl-3-methylbutan-2-ol?
1-[4-(3-ethylphenyl)phenyl]sulfanyl-3-methylbutan-2-ol has a molecular weight of 300.47 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethylphenyl)phenyl]sulfanyl-3-methylbutan-2-ol is sourced from PubChem (CID 143448995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).