ethane;1-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethanone

C19H26O3 — CID 90829801

IUPACethane;1-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethanone
SMILESCC.CC.CC(=O)c1cc(Cc2ccc(O)cc2)ccc1O
InChIInChI=1S/C15H14O3.2C2H6/c1-10(16)14-9-12(4-7-15(14)18)8-11-2-5-13(17)6-3-11;2*1-2/h2-7,9,17-18H,8H2,1H3;2*1-2H3
InChIKeyOZELRTUSIPTHII-UHFFFAOYSA-N
MW302.41 g/mol
LogP4.94
Rot. Bonds3

About ethane;1-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethanone

ethane;1-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethanone (PubChem CID 90829801) has the molecular formula C19H26O3 and a molecular weight of 302.41 g/mol. Its IUPAC name is ethane;1-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethanone.

Molecular Properties

Compound Nameethane;1-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethanone
PubChem CID90829801
Molecular FormulaC19H26O3
Molecular Weight302.41 g/mol
Exact Mass302.19
IUPAC Nameethane;1-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethanone
SMILESCC.CC.CC(=O)c1cc(Cc2ccc(O)cc2)ccc1O
InChIInChI=1S/C15H14O3.2C2H6/c1-10(16)14-9-12(4-7-15(14)18)8-11-2-5-13(17)6-3-11;2*1-2/h2-7,9,17-18H,8H2,1H3;2*1-2H3
InChIKeyOZELRTUSIPTHII-UHFFFAOYSA-N
XLogP4.94
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(4-fluorophenyl)methyl]-2-hydroxyphenyl]ethanone
CID 70901994
ethane;1-[2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone
CID 91044178
ethane;1-[2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone;1-[2-methoxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone
CID 160861227
1-[2-hydroxy-5-(2-methoxyethoxymethyl)phenyl]ethanone
CID 19045307
N-[(3-acetyl-4-hydroxyphenyl)methyl]-N-methylacetamide
CID 19045459
dipotassium;5-[(3-carboxylato-4-hydroxyphenyl)methyl]-2-hydroxybenzoate
CID 22945073
1-(2-hydroxy-5-nonylphenyl)ethanone
CID 10869095
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
ethyl 5-[(3-ethoxycarbonyl-4-hydroxyphenyl)methyl]-2-hydroxybenzoate
CID 23660222
1-(5-benzyl-2-hydroxyphenyl)-2,2-dimethylpropan-1-one
CID 63490073
ethyl (2S)-3-(3-acetyl-4-hydroxyphenyl)-2-aminopropanoate
CID 54333119
1-[4-[(3,5-difluorophenyl)methyl]-2-hydroxyphenyl]ethanone
CID 91499735

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethanone?
The IUPAC name of ethane;1-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethanone (CID 90829801) is ethane;1-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethanone.
What is the SMILES notation for ethane;1-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethanone?
The canonical SMILES for ethane;1-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethanone is CC.CC.CC(=O)c1cc(Cc2ccc(O)cc2)ccc1O.
What is the InChIKey of ethane;1-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethanone?
The InChIKey is OZELRTUSIPTHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3.2C2H6/c1-10(16)14-9-12(4-7-15(14)18)8-11-2-5-13(17)6-3-11;2*1-2/h2-7,9,17-18H,8H2,1H3;2*1-2H3.
What are the key properties of ethane;1-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethanone?
ethane;1-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethanone has a molecular weight of 302.41 g/mol, XLogP of 4.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethanone is sourced from PubChem (CID 90829801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).