2-(hydroxymethyl)-6-methoxy-7-phenylmethoxychromen-4-one

C18H16O5 — CID 126484702

IUPAC2-(hydroxymethyl)-6-methoxy-7-phenylmethoxychromen-4-one
SMILESCOc1cc2c(=O)cc(CO)oc2cc1OCc1ccccc1
InChIInChI=1S/C18H16O5/c1-21-17-8-14-15(20)7-13(10-19)23-16(14)9-18(17)22-11-12-5-3-2-4-6-12/h2-9,19H,10-11H2,1H3
InChIKeyPXWYRRBZHWCHMS-UHFFFAOYSA-N
MW312.32 g/mol
LogP2.87
Rot. Bonds5

About 2-(hydroxymethyl)-6-methoxy-7-phenylmethoxychromen-4-one

2-(hydroxymethyl)-6-methoxy-7-phenylmethoxychromen-4-one (PubChem CID 126484702) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-methoxy-7-phenylmethoxychromen-4-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-methoxy-7-phenylmethoxychromen-4-one
PubChem CID126484702
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name2-(hydroxymethyl)-6-methoxy-7-phenylmethoxychromen-4-one
SMILESCOc1cc2c(=O)cc(CO)oc2cc1OCc1ccccc1
InChIInChI=1S/C18H16O5/c1-21-17-8-14-15(20)7-13(10-19)23-16(14)9-18(17)22-11-12-5-3-2-4-6-12/h2-9,19H,10-11H2,1H3
InChIKeyPXWYRRBZHWCHMS-UHFFFAOYSA-N
XLogP2.87
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azidomethyl)-6-methoxy-7-phenylmethoxychromen-4-one
CID 126484713
5,13-dimethoxy-10-methyl-4,14-bis(phenylmethoxy)tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one
CID 135025053
2,6-bis(hydroxymethyl)-3-phenylmethoxypyran-4-one
CID 18428308
3,4-dimethyl-6,7-bis(phenylmethoxy)chromen-2-one
CID 10810185
7,9-dimethoxy-2,3-bis(phenylmethoxy)benzo[c]chromen-6-one
CID 102527760
6-methoxy-7-phenylmethoxy-1H-3,1-benzoxazine-2,4-dione
CID 11185633
1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone
CID 14235165
(4,5-dimethoxy-2-phenylmethoxyphenyl)methanol
CID 53441132
6-[5-(2-carboxy-7-methoxy-4-oxochromen-6-yl)oxypentoxy]-7-methoxy-4-oxochromene-2-carboxylic acid;dihydrate
CID 162076877
4-hydroxy-6-methoxy-7-phenylmethoxy-1H-benzo[f][2]benzofuran-3-one
CID 142720681
2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757
3-[(4-benzoylphenyl)methoxy]-8-(4-hydroxybutan-2-yl)-2-methoxybenzo[c]chromen-6-one
CID 154040845

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-methoxy-7-phenylmethoxychromen-4-one?
The IUPAC name of 2-(hydroxymethyl)-6-methoxy-7-phenylmethoxychromen-4-one (CID 126484702) is 2-(hydroxymethyl)-6-methoxy-7-phenylmethoxychromen-4-one.
What is the SMILES notation for 2-(hydroxymethyl)-6-methoxy-7-phenylmethoxychromen-4-one?
The canonical SMILES for 2-(hydroxymethyl)-6-methoxy-7-phenylmethoxychromen-4-one is COc1cc2c(=O)cc(CO)oc2cc1OCc1ccccc1.
What is the InChIKey of 2-(hydroxymethyl)-6-methoxy-7-phenylmethoxychromen-4-one?
The InChIKey is PXWYRRBZHWCHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-21-17-8-14-15(20)7-13(10-19)23-16(14)9-18(17)22-11-12-5-3-2-4-6-12/h2-9,19H,10-11H2,1H3.
What are the key properties of 2-(hydroxymethyl)-6-methoxy-7-phenylmethoxychromen-4-one?
2-(hydroxymethyl)-6-methoxy-7-phenylmethoxychromen-4-one has a molecular weight of 312.32 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-methoxy-7-phenylmethoxychromen-4-one is sourced from PubChem (CID 126484702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).