2-(4-propoxyazulen-6-yl)acetic acid

C15H16O3 — CID 67554086

IUPAC2-(4-propoxyazulen-6-yl)acetic acid
SMILESCCCOc1cc(CC(=O)O)ccc2cccc1-2
InChIInChI=1S/C15H16O3/c1-2-8-18-14-9-11(10-15(16)17)6-7-12-4-3-5-13(12)14/h3-7,9H,2,8,10H2,1H3,(H,16,17)
InChIKeyFKFBALVLJXCZSF-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.21
Rot. Bonds5

About 2-(4-propoxyazulen-6-yl)acetic acid

2-(4-propoxyazulen-6-yl)acetic acid (PubChem CID 67554086) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(4-propoxyazulen-6-yl)acetic acid.

Molecular Properties

Compound Name2-(4-propoxyazulen-6-yl)acetic acid
PubChem CID67554086
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name2-(4-propoxyazulen-6-yl)acetic acid
SMILESCCCOc1cc(CC(=O)O)ccc2cccc1-2
InChIInChI=1S/C15H16O3/c1-2-8-18-14-9-11(10-15(16)17)6-7-12-4-3-5-13(12)14/h3-7,9H,2,8,10H2,1H3,(H,16,17)
InChIKeyFKFBALVLJXCZSF-UHFFFAOYSA-N
XLogP3.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-hydroxyphenyl)-3-(methoxymethoxy)phenyl]acetic acid
CID 69378821
[4-(2-propoxyphenyl)phenyl]methylcarbamic acid
CID 67457846
2-(3-methoxy-4-pentoxyphenyl)acetic acid
CID 7139436
2-(3-ethoxy-4-pentoxyphenyl)acetic acid
CID 7139429
2-phenyl-6-propoxybenzamide
CID 57275841
2-[3-(4-ethylphenyl)phenyl]acetic acid
CID 1393629
2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid
CID 118456825
(4-phenyl-3-propoxyphenyl)boronic acid
CID 91576378
2-(4-butoxy-3-chlorophenyl)acetic acid
CID 27380
2-(3-methyl-4-phenylphenyl)acetic acid
CID 18793942
2-(3-ethoxy-4-propoxyphenyl)acetate
CID 7139426
5-(2-propoxyphenyl)pyridine-2-carboxylic acid
CID 104660736

Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxyazulen-6-yl)acetic acid?
The IUPAC name of 2-(4-propoxyazulen-6-yl)acetic acid (CID 67554086) is 2-(4-propoxyazulen-6-yl)acetic acid.
What is the SMILES notation for 2-(4-propoxyazulen-6-yl)acetic acid?
The canonical SMILES for 2-(4-propoxyazulen-6-yl)acetic acid is CCCOc1cc(CC(=O)O)ccc2cccc1-2.
What is the InChIKey of 2-(4-propoxyazulen-6-yl)acetic acid?
The InChIKey is FKFBALVLJXCZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-2-8-18-14-9-11(10-15(16)17)6-7-12-4-3-5-13(12)14/h3-7,9H,2,8,10H2,1H3,(H,16,17).
What are the key properties of 2-(4-propoxyazulen-6-yl)acetic acid?
2-(4-propoxyazulen-6-yl)acetic acid has a molecular weight of 244.29 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxyazulen-6-yl)acetic acid is sourced from PubChem (CID 67554086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).