4-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]butanoic acid

C30H38FNO4 — CID 14983500

IUPAC4-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]butanoic acid
SMILESCOc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CCCC(=O)O)C1)C(C)(C)O2
InChIInChI=1S/C30H38FNO4/c1-20(7-5-8-21-10-12-23(31)13-11-21)22-17-26(35-4)29-24-19-32(15-6-9-28(33)34)16-14-25(24)30(2,3)36-27(29)18-22/h10-13,17-18,20H,5-9,14-16,19H2,1-4H3,(H,33,34)
InChIKeyOUHRKOHQXFEURK-UHFFFAOYSA-N
MW495.64 g/mol
LogP6.46
Rot. Bonds10

About 4-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]butanoic acid

4-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]butanoic acid (PubChem CID 14983500) has the molecular formula C30H38FNO4 and a molecular weight of 495.64 g/mol. Its IUPAC name is 4-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]butanoic acid
PubChem CID14983500
Molecular FormulaC30H38FNO4
Molecular Weight495.64 g/mol
Exact Mass495.28
IUPAC Name4-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]butanoic acid
SMILESCOc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CCCC(=O)O)C1)C(C)(C)O2
InChIInChI=1S/C30H38FNO4/c1-20(7-5-8-21-10-12-23(31)13-11-21)22-17-26(35-4)29-24-19-32(15-6-9-28(33)34)16-14-25(24)30(2,3)36-27(29)18-22/h10-13,17-18,20H,5-9,14-16,19H2,1-4H3,(H,33,34)
InChIKeyOUHRKOHQXFEURK-UHFFFAOYSA-N
XLogP6.46
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.64
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]butanoic acid?
The IUPAC name of 4-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]butanoic acid (CID 14983500) is 4-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]butanoic acid.
What is the SMILES notation for 4-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]butanoic acid?
The canonical SMILES for 4-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]butanoic acid is COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CCCC(=O)O)C1)C(C)(C)O2.
What is the InChIKey of 4-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]butanoic acid?
The InChIKey is OUHRKOHQXFEURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38FNO4/c1-20(7-5-8-21-10-12-23(31)13-11-21)22-17-26(35-4)29-24-19-32(15-6-9-28(33)34)16-14-25(24)30(2,3)36-27(29)18-22/h10-13,17-18,20H,5-9,14-16,19H2,1-4H3,(H,33,34).
What are the key properties of 4-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]butanoic acid?
4-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]butanoic acid has a molecular weight of 495.64 g/mol, XLogP of 6.46, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]butanoic acid is sourced from PubChem (CID 14983500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).