(4S)-8-phenylmethoxy-3,4-dihydro-2H-chromene-4-carboxylic acid

C17H16O4 — CID 99499848

IUPAC(4S)-8-phenylmethoxy-3,4-dihydro-2H-chromene-4-carboxylic acid
SMILESO=C(O)[C@H]1CCOc2c(OCc3ccccc3)cccc21
InChIInChI=1S/C17H16O4/c18-17(19)14-9-10-20-16-13(14)7-4-8-15(16)21-11-12-5-2-1-3-6-12/h1-8,14H,9-11H2,(H,18,19)/t14-/m0/s1
InChIKeyVNQIWWZPOWTXER-AWEZNQCLSA-N
MW284.31 g/mol
LogP3.22
Rot. Bonds4

About (4S)-8-phenylmethoxy-3,4-dihydro-2H-chromene-4-carboxylic acid

(4S)-8-phenylmethoxy-3,4-dihydro-2H-chromene-4-carboxylic acid (PubChem CID 99499848) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is (4S)-8-phenylmethoxy-3,4-dihydro-2H-chromene-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-8-phenylmethoxy-3,4-dihydro-2H-chromene-4-carboxylic acid
PubChem CID99499848
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name(4S)-8-phenylmethoxy-3,4-dihydro-2H-chromene-4-carboxylic acid
SMILESO=C(O)[C@H]1CCOc2c(OCc3ccccc3)cccc21
InChIInChI=1S/C17H16O4/c18-17(19)14-9-10-20-16-13(14)7-4-8-15(16)21-11-12-5-2-1-3-6-12/h1-8,14H,9-11H2,(H,18,19)/t14-/m0/s1
InChIKeyVNQIWWZPOWTXER-AWEZNQCLSA-N
XLogP3.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 67167023
(4R)-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one
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8-phenylmethoxy-2H-chromene-3-carbaldehyde
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2-[[4-(2-benzhydrylsulfanylethyl)-3,4-dihydro-2H-chromen-8-yl]oxy]acetic acid
CID 22448937
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(4R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 22827572
4-amino-6-phenylmethoxy-3,4-dihydro-2H-chromen-8-ol
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Frequently Asked Questions

What is the IUPAC name of (4S)-8-phenylmethoxy-3,4-dihydro-2H-chromene-4-carboxylic acid?
The IUPAC name of (4S)-8-phenylmethoxy-3,4-dihydro-2H-chromene-4-carboxylic acid (CID 99499848) is (4S)-8-phenylmethoxy-3,4-dihydro-2H-chromene-4-carboxylic acid.
What is the SMILES notation for (4S)-8-phenylmethoxy-3,4-dihydro-2H-chromene-4-carboxylic acid?
The canonical SMILES for (4S)-8-phenylmethoxy-3,4-dihydro-2H-chromene-4-carboxylic acid is O=C(O)[C@H]1CCOc2c(OCc3ccccc3)cccc21.
What is the InChIKey of (4S)-8-phenylmethoxy-3,4-dihydro-2H-chromene-4-carboxylic acid?
The InChIKey is VNQIWWZPOWTXER-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H16O4/c18-17(19)14-9-10-20-16-13(14)7-4-8-15(16)21-11-12-5-2-1-3-6-12/h1-8,14H,9-11H2,(H,18,19)/t14-/m0/s1.
What are the key properties of (4S)-8-phenylmethoxy-3,4-dihydro-2H-chromene-4-carboxylic acid?
(4S)-8-phenylmethoxy-3,4-dihydro-2H-chromene-4-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-phenylmethoxy-3,4-dihydro-2H-chromene-4-carboxylic acid is sourced from PubChem (CID 99499848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).