bis[2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenyl]methanone

C25H22O3 — CID 67426947

IUPACbis[2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenyl]methanone
SMILESO=C(c1ccccc1C1(O)C=CC=CC1)c1ccccc1C1(O)C=CC=CC1
InChIInChI=1S/C25H22O3/c26-23(19-11-3-5-13-21(19)24(27)15-7-1-8-16-24)20-12-4-6-14-22(20)25(28)17-9-2-10-18-25/h1-15,17,27-28H,16,18H2
InChIKeyLGYUATFJKTUSJY-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.32
Rot. Bonds4

About bis[2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenyl]methanone

bis[2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenyl]methanone (PubChem CID 67426947) has the molecular formula C25H22O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is bis[2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenyl]methanone.

Molecular Properties

Compound Namebis[2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenyl]methanone
PubChem CID67426947
Molecular FormulaC25H22O3
Molecular Weight370.45 g/mol
Exact Mass370.16
IUPAC Namebis[2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenyl]methanone
SMILESO=C(c1ccccc1C1(O)C=CC=CC1)c1ccccc1C1(O)C=CC=CC1
InChIInChI=1S/C25H22O3/c26-23(19-11-3-5-13-21(19)24(27)15-7-1-8-16-24)20-12-4-6-14-22(20)25(28)17-9-2-10-18-25/h1-15,17,27-28H,16,18H2
InChIKeyLGYUATFJKTUSJY-UHFFFAOYSA-N
XLogP4.32
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis[2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenyl]methanone?
The IUPAC name of bis[2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenyl]methanone (CID 67426947) is bis[2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenyl]methanone.
What is the SMILES notation for bis[2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenyl]methanone?
The canonical SMILES for bis[2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenyl]methanone is O=C(c1ccccc1C1(O)C=CC=CC1)c1ccccc1C1(O)C=CC=CC1.
What is the InChIKey of bis[2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenyl]methanone?
The InChIKey is LGYUATFJKTUSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O3/c26-23(19-11-3-5-13-21(19)24(27)15-7-1-8-16-24)20-12-4-6-14-22(20)25(28)17-9-2-10-18-25/h1-15,17,27-28H,16,18H2.
What are the key properties of bis[2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenyl]methanone?
bis[2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenyl]methanone has a molecular weight of 370.45 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenyl]methanone is sourced from PubChem (CID 67426947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).