2-(4-oxo-6-phenylmethoxychromen-3-yl)acetic acid

C18H14O5 — CID 174407776

IUPAC2-(4-oxo-6-phenylmethoxychromen-3-yl)acetic acid
SMILESO=C(O)Cc1coc2ccc(OCc3ccccc3)cc2c1=O
InChIInChI=1S/C18H14O5/c19-17(20)8-13-11-23-16-7-6-14(9-15(16)18(13)21)22-10-12-4-2-1-3-5-12/h1-7,9,11H,8,10H2,(H,19,20)
InChIKeySMHJXGWGGQGGJM-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.00
Rot. Bonds5

About 2-(4-oxo-6-phenylmethoxychromen-3-yl)acetic acid

2-(4-oxo-6-phenylmethoxychromen-3-yl)acetic acid (PubChem CID 174407776) has the molecular formula C18H14O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-(4-oxo-6-phenylmethoxychromen-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-oxo-6-phenylmethoxychromen-3-yl)acetic acid
PubChem CID174407776
Molecular FormulaC18H14O5
Molecular Weight310.31 g/mol
Exact Mass310.08
IUPAC Name2-(4-oxo-6-phenylmethoxychromen-3-yl)acetic acid
SMILESO=C(O)Cc1coc2ccc(OCc3ccccc3)cc2c1=O
InChIInChI=1S/C18H14O5/c19-17(20)8-13-11-23-16-7-6-14(9-15(16)18(13)21)22-10-12-4-2-1-3-5-12/h1-7,9,11H,8,10H2,(H,19,20)
InChIKeySMHJXGWGGQGGJM-UHFFFAOYSA-N
XLogP3.00
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(6-phenylmethoxy-1-benzofuran-3-yl)acetate
CID 91423659
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
2-(2-chloro-4-phenylmethoxyphenyl)acetic acid
CID 4241746
[5-[(4-bromophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone
CID 91939011
2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid
CID 696231
7-phenylmethoxy-3-[(2-pyridin-2-ylethylamino)methyl]chromen-4-one
CID 175871546
2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid
CID 20984477
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415
5-(thiophen-3-ylmethoxy)-1-benzofuran-3-carboxylic acid
CID 163380011
3-[(4-bromophenoxy)methyl]chromen-4-one
CID 166068093
N-benzyl-4-butoxy-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide
CID 42785964
2-[4-(phenoxymethyl)phenyl]acetic acid
CID 12832053

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-6-phenylmethoxychromen-3-yl)acetic acid?
The IUPAC name of 2-(4-oxo-6-phenylmethoxychromen-3-yl)acetic acid (CID 174407776) is 2-(4-oxo-6-phenylmethoxychromen-3-yl)acetic acid.
What is the SMILES notation for 2-(4-oxo-6-phenylmethoxychromen-3-yl)acetic acid?
The canonical SMILES for 2-(4-oxo-6-phenylmethoxychromen-3-yl)acetic acid is O=C(O)Cc1coc2ccc(OCc3ccccc3)cc2c1=O.
What is the InChIKey of 2-(4-oxo-6-phenylmethoxychromen-3-yl)acetic acid?
The InChIKey is SMHJXGWGGQGGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O5/c19-17(20)8-13-11-23-16-7-6-14(9-15(16)18(13)21)22-10-12-4-2-1-3-5-12/h1-7,9,11H,8,10H2,(H,19,20).
What are the key properties of 2-(4-oxo-6-phenylmethoxychromen-3-yl)acetic acid?
2-(4-oxo-6-phenylmethoxychromen-3-yl)acetic acid has a molecular weight of 310.31 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-6-phenylmethoxychromen-3-yl)acetic acid is sourced from PubChem (CID 174407776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).