[6-hydroxy-4-[2-(2-hydroxyethoxy)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-phenylmethanone

C22H22O4 — CID 175549786

IUPAC[6-hydroxy-4-[2-(2-hydroxyethoxy)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-phenylmethanone
SMILESCC1(O)C=C(c2ccccc2OCCO)C=CC1C(=O)c1ccccc1
InChIInChI=1S/C22H22O4/c1-22(25)15-17(18-9-5-6-10-20(18)26-14-13-23)11-12-19(22)21(24)16-7-3-2-4-8-16/h2-12,15,19,23,25H,13-14H2,1H3
InChIKeySYFYTTLIYSUOPJ-UHFFFAOYSA-N
MW350.41 g/mol
LogP3.26
Rot. Bonds6

About [6-hydroxy-4-[2-(2-hydroxyethoxy)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-phenylmethanone

[6-hydroxy-4-[2-(2-hydroxyethoxy)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-phenylmethanone (PubChem CID 175549786) has the molecular formula C22H22O4 and a molecular weight of 350.41 g/mol. Its IUPAC name is [6-hydroxy-4-[2-(2-hydroxyethoxy)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[6-hydroxy-4-[2-(2-hydroxyethoxy)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-phenylmethanone
PubChem CID175549786
Molecular FormulaC22H22O4
Molecular Weight350.41 g/mol
Exact Mass350.15
IUPAC Name[6-hydroxy-4-[2-(2-hydroxyethoxy)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-phenylmethanone
SMILESCC1(O)C=C(c2ccccc2OCCO)C=CC1C(=O)c1ccccc1
InChIInChI=1S/C22H22O4/c1-22(25)15-17(18-9-5-6-10-20(18)26-14-13-23)11-12-19(22)21(24)16-7-3-2-4-8-16/h2-12,15,19,23,25H,13-14H2,1H3
InChIKeySYFYTTLIYSUOPJ-UHFFFAOYSA-N
XLogP3.26
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-hydroxy-4-[2-(2-hydroxyethoxy)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-phenylmethanone?
The IUPAC name of [6-hydroxy-4-[2-(2-hydroxyethoxy)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-phenylmethanone (CID 175549786) is [6-hydroxy-4-[2-(2-hydroxyethoxy)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-phenylmethanone.
What is the SMILES notation for [6-hydroxy-4-[2-(2-hydroxyethoxy)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-phenylmethanone?
The canonical SMILES for [6-hydroxy-4-[2-(2-hydroxyethoxy)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-phenylmethanone is CC1(O)C=C(c2ccccc2OCCO)C=CC1C(=O)c1ccccc1.
What is the InChIKey of [6-hydroxy-4-[2-(2-hydroxyethoxy)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-phenylmethanone?
The InChIKey is SYFYTTLIYSUOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O4/c1-22(25)15-17(18-9-5-6-10-20(18)26-14-13-23)11-12-19(22)21(24)16-7-3-2-4-8-16/h2-12,15,19,23,25H,13-14H2,1H3.
What are the key properties of [6-hydroxy-4-[2-(2-hydroxyethoxy)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-phenylmethanone?
[6-hydroxy-4-[2-(2-hydroxyethoxy)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-phenylmethanone has a molecular weight of 350.41 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-hydroxy-4-[2-(2-hydroxyethoxy)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-phenylmethanone is sourced from PubChem (CID 175549786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).