4-(oxan-4-yl)-2,3-dihydrochromene-4-carboxylic acid

C15H18O4 — CID 79429724

IUPAC4-(oxan-4-yl)-2,3-dihydrochromene-4-carboxylic acid
SMILESO=C(O)C1(C2CCOCC2)CCOc2ccccc21
InChIInChI=1S/C15H18O4/c16-14(17)15(11-5-8-18-9-6-11)7-10-19-13-4-2-1-3-12(13)15/h1-4,11H,5-10H2,(H,16,17)
InChIKeyRUTJQPDJGDRYDN-UHFFFAOYSA-N
MW262.30 g/mol
LogP2.22
Rot. Bonds2

About 4-(oxan-4-yl)-2,3-dihydrochromene-4-carboxylic acid

4-(oxan-4-yl)-2,3-dihydrochromene-4-carboxylic acid (PubChem CID 79429724) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is 4-(oxan-4-yl)-2,3-dihydrochromene-4-carboxylic acid.

Molecular Properties

Compound Name4-(oxan-4-yl)-2,3-dihydrochromene-4-carboxylic acid
PubChem CID79429724
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name4-(oxan-4-yl)-2,3-dihydrochromene-4-carboxylic acid
SMILESO=C(O)C1(C2CCOCC2)CCOc2ccccc21
InChIInChI=1S/C15H18O4/c16-14(17)15(11-5-8-18-9-6-11)7-10-19-13-4-2-1-3-12(13)15/h1-4,11H,5-10H2,(H,16,17)
InChIKeyRUTJQPDJGDRYDN-UHFFFAOYSA-N
XLogP2.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-dimethylcyclohexyl)-2,3-dihydrochromene-4-carboxylic acid
CID 79423250
4-(2-hydroxycycloheptyl)-2,3-dihydrochromene-4-carboxylic acid
CID 79423249
(4R)-4-(dimethylamino)-2,3-dihydrochromene-4-carboxylic acid
CID 51887898
4-propan-2-yl-2,3-dihydrochromene-4-carboxylic acid
CID 79428676
4-(2-morpholin-4-ylethyl)-2,3-dihydrochromene-4-carboxylic acid
CID 79423243
2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid
CID 94425211
4-hydroxy-2,3-dihydrochromene-4-carboxamide
CID 62224010
1-[2-(oxan-4-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117367993
2-(oxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 79429640
4-but-2-enoxy-2,3-dihydrochromene-4-carboxylic acid
CID 114996160
4-(3-methylbutyl)-2,3-dihydrochromene-4-carboxylic acid
CID 65408891
1-[2-(oxan-4-yl)phenyl]cyclohexane-1-carboxylic acid
CID 117466009

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yl)-2,3-dihydrochromene-4-carboxylic acid?
The IUPAC name of 4-(oxan-4-yl)-2,3-dihydrochromene-4-carboxylic acid (CID 79429724) is 4-(oxan-4-yl)-2,3-dihydrochromene-4-carboxylic acid.
What is the SMILES notation for 4-(oxan-4-yl)-2,3-dihydrochromene-4-carboxylic acid?
The canonical SMILES for 4-(oxan-4-yl)-2,3-dihydrochromene-4-carboxylic acid is O=C(O)C1(C2CCOCC2)CCOc2ccccc21.
What is the InChIKey of 4-(oxan-4-yl)-2,3-dihydrochromene-4-carboxylic acid?
The InChIKey is RUTJQPDJGDRYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c16-14(17)15(11-5-8-18-9-6-11)7-10-19-13-4-2-1-3-12(13)15/h1-4,11H,5-10H2,(H,16,17).
What are the key properties of 4-(oxan-4-yl)-2,3-dihydrochromene-4-carboxylic acid?
4-(oxan-4-yl)-2,3-dihydrochromene-4-carboxylic acid has a molecular weight of 262.30 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yl)-2,3-dihydrochromene-4-carboxylic acid is sourced from PubChem (CID 79429724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).