(4-butylsulfanylphenyl)-phenylmethanol

C17H20OS — CID 70791301

IUPAC(4-butylsulfanylphenyl)-phenylmethanol
SMILESCCCCSc1ccc(C(O)c2ccccc2)cc1
InChIInChI=1S/C17H20OS/c1-2-3-13-19-16-11-9-15(10-12-16)17(18)14-7-5-4-6-8-14/h4-12,17-18H,2-3,13H2,1H3
InChIKeyGTXACQXNTRRDRK-UHFFFAOYSA-N
MW272.41 g/mol
LogP4.66
Rot. Bonds6

About (4-butylsulfanylphenyl)-phenylmethanol

(4-butylsulfanylphenyl)-phenylmethanol (PubChem CID 70791301) has the molecular formula C17H20OS and a molecular weight of 272.41 g/mol. Its IUPAC name is (4-butylsulfanylphenyl)-phenylmethanol.

Molecular Properties

Compound Name(4-butylsulfanylphenyl)-phenylmethanol
PubChem CID70791301
Molecular FormulaC17H20OS
Molecular Weight272.41 g/mol
Exact Mass272.12
IUPAC Name(4-butylsulfanylphenyl)-phenylmethanol
SMILESCCCCSc1ccc(C(O)c2ccccc2)cc1
InChIInChI=1S/C17H20OS/c1-2-3-13-19-16-11-9-15(10-12-16)17(18)14-7-5-4-6-8-14/h4-12,17-18H,2-3,13H2,1H3
InChIKeyGTXACQXNTRRDRK-UHFFFAOYSA-N
XLogP4.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-butylsulfanylphenyl)-phenylmethanol?
The IUPAC name of (4-butylsulfanylphenyl)-phenylmethanol (CID 70791301) is (4-butylsulfanylphenyl)-phenylmethanol.
What is the SMILES notation for (4-butylsulfanylphenyl)-phenylmethanol?
The canonical SMILES for (4-butylsulfanylphenyl)-phenylmethanol is CCCCSc1ccc(C(O)c2ccccc2)cc1.
What is the InChIKey of (4-butylsulfanylphenyl)-phenylmethanol?
The InChIKey is GTXACQXNTRRDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20OS/c1-2-3-13-19-16-11-9-15(10-12-16)17(18)14-7-5-4-6-8-14/h4-12,17-18H,2-3,13H2,1H3.
What are the key properties of (4-butylsulfanylphenyl)-phenylmethanol?
(4-butylsulfanylphenyl)-phenylmethanol has a molecular weight of 272.41 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylsulfanylphenyl)-phenylmethanol is sourced from PubChem (CID 70791301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).