bis(4-hydroxy-3,5-dimethylphenyl)methanone;bis(4-hydroxyphenyl)methanone

C30H28O6 — CID 159747693

IUPACbis(4-hydroxy-3,5-dimethylphenyl)methanone;bis(4-hydroxyphenyl)methanone
SMILESCc1cc(C(=O)c2cc(C)c(O)c(C)c2)cc(C)c1O.O=C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H18O3.C13H10O3/c1-9-5-13(6-10(2)15(9)18)17(20)14-7-11(3)16(19)12(4)8-14;14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h5-8,18-19H,1-4H3;1-8,14-15H
InChIKeyNDGFKJXYIIQOCI-UHFFFAOYSA-N
MW484.55 g/mol
LogP5.89
Rot. Bonds4

About bis(4-hydroxy-3,5-dimethylphenyl)methanone;bis(4-hydroxyphenyl)methanone

bis(4-hydroxy-3,5-dimethylphenyl)methanone;bis(4-hydroxyphenyl)methanone (PubChem CID 159747693) has the molecular formula C30H28O6 and a molecular weight of 484.55 g/mol. Its IUPAC name is bis(4-hydroxy-3,5-dimethylphenyl)methanone;bis(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Namebis(4-hydroxy-3,5-dimethylphenyl)methanone;bis(4-hydroxyphenyl)methanone
PubChem CID159747693
Molecular FormulaC30H28O6
Molecular Weight484.55 g/mol
Exact Mass484.19
IUPAC Namebis(4-hydroxy-3,5-dimethylphenyl)methanone;bis(4-hydroxyphenyl)methanone
SMILESCc1cc(C(=O)c2cc(C)c(O)c(C)c2)cc(C)c1O.O=C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H18O3.C13H10O3/c1-9-5-13(6-10(2)15(9)18)17(20)14-7-11(3)16(19)12(4)8-14;14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h5-8,18-19H,1-4H3;1-8,14-15H
InChIKeyNDGFKJXYIIQOCI-UHFFFAOYSA-N
XLogP5.89
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.55
LogP ≤ 55.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methanone
CID 19890098
(3,4-dihydroxy-5-methylphenyl)-(4-methylphenyl)methanone
CID 129087324
(4-fluoro-3-methylphenyl)-(4-hydroxyphenyl)methanone
CID 82081761
(4-hydroxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 70142361
(4-hydroxyphenyl)-(3-methylphenyl)methanone
CID 22132621
(4-hydroxyphenyl)-phenylmethanone
CID 139062648
bis(4-hydroxyphenyl)methanone;isocyanic acid
CID 175572279
[4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone
CID 5143805
[3-(4-hydroxybenzoyl)-5-nitrophenyl]-(4-hydroxyphenyl)methanone
CID 12070506
(2-hydroxy-3,5-dimethylphenyl)-(4-methylphenyl)methanone
CID 13251027
butane;(4-hydroxyphenyl)-phenylmethanone
CID 70634619
N-[4-(4-hydroxybenzoyl)phenyl]acetamide
CID 91710939

Frequently Asked Questions

What is the IUPAC name of bis(4-hydroxy-3,5-dimethylphenyl)methanone;bis(4-hydroxyphenyl)methanone?
The IUPAC name of bis(4-hydroxy-3,5-dimethylphenyl)methanone;bis(4-hydroxyphenyl)methanone (CID 159747693) is bis(4-hydroxy-3,5-dimethylphenyl)methanone;bis(4-hydroxyphenyl)methanone.
What is the SMILES notation for bis(4-hydroxy-3,5-dimethylphenyl)methanone;bis(4-hydroxyphenyl)methanone?
The canonical SMILES for bis(4-hydroxy-3,5-dimethylphenyl)methanone;bis(4-hydroxyphenyl)methanone is Cc1cc(C(=O)c2cc(C)c(O)c(C)c2)cc(C)c1O.O=C(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of bis(4-hydroxy-3,5-dimethylphenyl)methanone;bis(4-hydroxyphenyl)methanone?
The InChIKey is NDGFKJXYIIQOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3.C13H10O3/c1-9-5-13(6-10(2)15(9)18)17(20)14-7-11(3)16(19)12(4)8-14;14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h5-8,18-19H,1-4H3;1-8,14-15H.
What are the key properties of bis(4-hydroxy-3,5-dimethylphenyl)methanone;bis(4-hydroxyphenyl)methanone?
bis(4-hydroxy-3,5-dimethylphenyl)methanone;bis(4-hydroxyphenyl)methanone has a molecular weight of 484.55 g/mol, XLogP of 5.89, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-hydroxy-3,5-dimethylphenyl)methanone;bis(4-hydroxyphenyl)methanone is sourced from PubChem (CID 159747693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).