7-hydroxy-8-(3-hydroxypropyl)chromen-2-one

C12H12O4 — CID 145469984

IUPAC7-hydroxy-8-(3-hydroxypropyl)chromen-2-one
SMILESO=c1ccc2ccc(O)c(CCCO)c2o1
InChIInChI=1S/C12H12O4/c13-7-1-2-9-10(14)5-3-8-4-6-11(15)16-12(8)9/h3-6,13-14H,1-2,7H2
InChIKeyUVTOPYLLTCMRKA-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.42
Rot. Bonds3

About 7-hydroxy-8-(3-hydroxypropyl)chromen-2-one

7-hydroxy-8-(3-hydroxypropyl)chromen-2-one (PubChem CID 145469984) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 7-hydroxy-8-(3-hydroxypropyl)chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-8-(3-hydroxypropyl)chromen-2-one
PubChem CID145469984
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name7-hydroxy-8-(3-hydroxypropyl)chromen-2-one
SMILESO=c1ccc2ccc(O)c(CCCO)c2o1
InChIInChI=1S/C12H12O4/c13-7-1-2-9-10(14)5-3-8-4-6-11(15)16-12(8)9/h3-6,13-14H,1-2,7H2
InChIKeyUVTOPYLLTCMRKA-UHFFFAOYSA-N
XLogP1.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-8-(2-methyliminoethyl)chromen-2-one
CID 167020442
2-[(7-hydroxy-2-oxochromen-8-yl)methylamino]propanoic acid
CID 5466064
8-[bis(2-chloroethyl)aminomethyl]-7-hydroxychromen-2-one
CID 5474575
8-(hydroxymethyl)-6-[[8-(hydroxymethyl)-7-methyl-2-oxochromen-6-yl]methyl]-7-methylchromen-2-one
CID 139221448
butanedioic acid;bis(7,8-dihydroxychromen-2-one)
CID 174471020
8-hydroxy-7-methylchromen-2-one
CID 145496971
9-(hydroxymethyl)furo[3,2-g]chromen-7-one
CID 20823678
8-(hydroxymethyl)-7-methoxychromen-2-one
CID 1051542
7-hydroxy-8-[(pyridin-2-ylmethylamino)methyl]chromen-2-one
CID 132551355
8-acetyl-7-hydroxychromen-2-one
CID 5411574
7-hydroxy-8-[2-(2-hydroxypropan-2-yl)-5-methyl-3-oxohex-4-enyl]chromen-2-one
CID 101311668
2-[bis(carboxymethyl)amino]-5-[(7-hydroxy-2-oxochromen-8-yl)methylamino]pentanoic acid
CID 73409612

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-(3-hydroxypropyl)chromen-2-one?
The IUPAC name of 7-hydroxy-8-(3-hydroxypropyl)chromen-2-one (CID 145469984) is 7-hydroxy-8-(3-hydroxypropyl)chromen-2-one.
What is the SMILES notation for 7-hydroxy-8-(3-hydroxypropyl)chromen-2-one?
The canonical SMILES for 7-hydroxy-8-(3-hydroxypropyl)chromen-2-one is O=c1ccc2ccc(O)c(CCCO)c2o1.
What is the InChIKey of 7-hydroxy-8-(3-hydroxypropyl)chromen-2-one?
The InChIKey is UVTOPYLLTCMRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c13-7-1-2-9-10(14)5-3-8-4-6-11(15)16-12(8)9/h3-6,13-14H,1-2,7H2.
What are the key properties of 7-hydroxy-8-(3-hydroxypropyl)chromen-2-one?
7-hydroxy-8-(3-hydroxypropyl)chromen-2-one has a molecular weight of 220.22 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-(3-hydroxypropyl)chromen-2-one is sourced from PubChem (CID 145469984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).