(2,5-dimethylthiophen-3-yl)-(4-phenylphenyl)methanol

C19H18OS — CID 65453801

IUPAC(2,5-dimethylthiophen-3-yl)-(4-phenylphenyl)methanol
SMILESCc1cc(C(O)c2ccc(-c3ccccc3)cc2)c(C)s1
InChIInChI=1S/C19H18OS/c1-13-12-18(14(2)21-13)19(20)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12,19-20H,1-2H3
InChIKeyQUODCRCIDYJVJH-UHFFFAOYSA-N
MW294.42 g/mol
LogP5.11
Rot. Bonds3

About (2,5-dimethylthiophen-3-yl)-(4-phenylphenyl)methanol

(2,5-dimethylthiophen-3-yl)-(4-phenylphenyl)methanol (PubChem CID 65453801) has the molecular formula C19H18OS and a molecular weight of 294.42 g/mol. Its IUPAC name is (2,5-dimethylthiophen-3-yl)-(4-phenylphenyl)methanol.

Molecular Properties

Compound Name(2,5-dimethylthiophen-3-yl)-(4-phenylphenyl)methanol
PubChem CID65453801
Molecular FormulaC19H18OS
Molecular Weight294.42 g/mol
Exact Mass294.11
IUPAC Name(2,5-dimethylthiophen-3-yl)-(4-phenylphenyl)methanol
SMILESCc1cc(C(O)c2ccc(-c3ccccc3)cc2)c(C)s1
InChIInChI=1S/C19H18OS/c1-13-12-18(14(2)21-13)19(20)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12,19-20H,1-2H3
InChIKeyQUODCRCIDYJVJH-UHFFFAOYSA-N
XLogP5.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.42
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylthiophen-3-yl)-(4-phenylphenyl)methanol?
The IUPAC name of (2,5-dimethylthiophen-3-yl)-(4-phenylphenyl)methanol (CID 65453801) is (2,5-dimethylthiophen-3-yl)-(4-phenylphenyl)methanol.
What is the SMILES notation for (2,5-dimethylthiophen-3-yl)-(4-phenylphenyl)methanol?
The canonical SMILES for (2,5-dimethylthiophen-3-yl)-(4-phenylphenyl)methanol is Cc1cc(C(O)c2ccc(-c3ccccc3)cc2)c(C)s1.
What is the InChIKey of (2,5-dimethylthiophen-3-yl)-(4-phenylphenyl)methanol?
The InChIKey is QUODCRCIDYJVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18OS/c1-13-12-18(14(2)21-13)19(20)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12,19-20H,1-2H3.
What are the key properties of (2,5-dimethylthiophen-3-yl)-(4-phenylphenyl)methanol?
(2,5-dimethylthiophen-3-yl)-(4-phenylphenyl)methanol has a molecular weight of 294.42 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylthiophen-3-yl)-(4-phenylphenyl)methanol is sourced from PubChem (CID 65453801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).