(3-hydroxyphenyl)-[5-(4-methoxyphenyl)thiophen-2-yl]methanone

C18H14O3S — CID 56928772

IUPAC(3-hydroxyphenyl)-[5-(4-methoxyphenyl)thiophen-2-yl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)c3cccc(O)c3)s2)cc1
InChIInChI=1S/C18H14O3S/c1-21-15-7-5-12(6-8-15)16-9-10-17(22-16)18(20)13-3-2-4-14(19)11-13/h2-11,19H,1H3
InChIKeyHPUJXICXVBZDKT-UHFFFAOYSA-N
MW310.37 g/mol
LogP4.36
Rot. Bonds4

About (3-hydroxyphenyl)-[5-(4-methoxyphenyl)thiophen-2-yl]methanone

(3-hydroxyphenyl)-[5-(4-methoxyphenyl)thiophen-2-yl]methanone (PubChem CID 56928772) has the molecular formula C18H14O3S and a molecular weight of 310.37 g/mol. Its IUPAC name is (3-hydroxyphenyl)-[5-(4-methoxyphenyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxyphenyl)-[5-(4-methoxyphenyl)thiophen-2-yl]methanone
PubChem CID56928772
Molecular FormulaC18H14O3S
Molecular Weight310.37 g/mol
Exact Mass310.07
IUPAC Name(3-hydroxyphenyl)-[5-(4-methoxyphenyl)thiophen-2-yl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)c3cccc(O)c3)s2)cc1
InChIInChI=1S/C18H14O3S/c1-21-15-7-5-12(6-8-15)16-9-10-17(22-16)18(20)13-3-2-4-14(19)11-13/h2-11,19H,1H3
InChIKeyHPUJXICXVBZDKT-UHFFFAOYSA-N
XLogP4.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-hydroxy-5-methoxycyclohexa-1,5-dien-1-yl)thiophen-2-yl]-(3-hydroxyphenyl)methanone
CID 66585101
N-hydroxy-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 58657217
N-[[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]methyl]methanesulfonamide
CID 56928978
(E)-2-hydroxy-4-[5-(4-methoxyphenyl)thiophen-2-yl]-4-oxobut-2-enoic acid
CID 68591897
3-cyano-N-[4-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide
CID 122194302
2,5-bis[4-(4-methoxyphenyl)phenyl]thiophene
CID 16751334
1-[5-(4-ethenylphenyl)thiophen-2-yl]-3-(4-methoxyphenyl)propane-1,3-dione
CID 19596431
N-(2-hydroxyethyl)-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 117087642
[4-[4-[3-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
CID 160674185
(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
CID 58399730
3-fluoro-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide
CID 122194315
methyl 6-[5-(4-methoxyphenyl)thiophen-2-yl]naphthalene-2-carboxylate
CID 69360767

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)-[5-(4-methoxyphenyl)thiophen-2-yl]methanone?
The IUPAC name of (3-hydroxyphenyl)-[5-(4-methoxyphenyl)thiophen-2-yl]methanone (CID 56928772) is (3-hydroxyphenyl)-[5-(4-methoxyphenyl)thiophen-2-yl]methanone.
What is the SMILES notation for (3-hydroxyphenyl)-[5-(4-methoxyphenyl)thiophen-2-yl]methanone?
The canonical SMILES for (3-hydroxyphenyl)-[5-(4-methoxyphenyl)thiophen-2-yl]methanone is COc1ccc(-c2ccc(C(=O)c3cccc(O)c3)s2)cc1.
What is the InChIKey of (3-hydroxyphenyl)-[5-(4-methoxyphenyl)thiophen-2-yl]methanone?
The InChIKey is HPUJXICXVBZDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O3S/c1-21-15-7-5-12(6-8-15)16-9-10-17(22-16)18(20)13-3-2-4-14(19)11-13/h2-11,19H,1H3.
What are the key properties of (3-hydroxyphenyl)-[5-(4-methoxyphenyl)thiophen-2-yl]methanone?
(3-hydroxyphenyl)-[5-(4-methoxyphenyl)thiophen-2-yl]methanone has a molecular weight of 310.37 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)-[5-(4-methoxyphenyl)thiophen-2-yl]methanone is sourced from PubChem (CID 56928772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).