3-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]chromen-2-one

C26H17NO3 — CID 3098660

IUPAC3-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C26H17NO3/c28-24-14-11-17-5-1-3-7-21(17)23(24)16-27-20-12-9-18(10-13-20)22-15-19-6-2-4-8-25(19)30-26(22)29/h1-16,28H/b27-16+
InChIKeyZURDHSYFGXJAPB-JVWAILMASA-N
MW391.43 g/mol
LogP6.07
Rot. Bonds3

About 3-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]chromen-2-one

3-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]chromen-2-one (PubChem CID 3098660) has the molecular formula C26H17NO3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]chromen-2-one.

Molecular Properties

Compound Name3-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]chromen-2-one
PubChem CID3098660
Molecular FormulaC26H17NO3
Molecular Weight391.43 g/mol
Exact Mass391.12
IUPAC Name3-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C26H17NO3/c28-24-14-11-17-5-1-3-7-21(17)23(24)16-27-20-12-9-18(10-13-20)22-15-19-6-2-4-8-25(19)30-26(22)29/h1-16,28H/b27-16+
InChIKeyZURDHSYFGXJAPB-JVWAILMASA-N
XLogP6.07
TPSA62.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.43
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]chromen-2-one?
The IUPAC name of 3-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]chromen-2-one (CID 3098660) is 3-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]chromen-2-one.
What is the SMILES notation for 3-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]chromen-2-one?
The canonical SMILES for 3-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]chromen-2-one is O=c1oc2ccccc2cc1-c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 3-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]chromen-2-one?
The InChIKey is ZURDHSYFGXJAPB-JVWAILMASA-N. The full InChI is InChI=1S/C26H17NO3/c28-24-14-11-17-5-1-3-7-21(17)23(24)16-27-20-12-9-18(10-13-20)22-15-19-6-2-4-8-25(19)30-26(22)29/h1-16,28H/b27-16+.
What are the key properties of 3-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]chromen-2-one?
3-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]chromen-2-one has a molecular weight of 391.43 g/mol, XLogP of 6.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]chromen-2-one is sourced from PubChem (CID 3098660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).