1-methoxypropane;phthalic acid

C12H16O5 — CID 174535712

IUPAC1-methoxypropane;phthalic acid
SMILESCCCOC.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.C4H10O/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-3-4-5-2/h1-4H,(H,9,10)(H,11,12);3-4H2,1-2H3
InChIKeyWVFJXKSGMOGDNH-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.13
Rot. Bonds4

About 1-methoxypropane;phthalic acid

1-methoxypropane;phthalic acid (PubChem CID 174535712) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-methoxypropane;phthalic acid.

Molecular Properties

Compound Name1-methoxypropane;phthalic acid
PubChem CID174535712
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name1-methoxypropane;phthalic acid
SMILESCCCOC.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.C4H10O/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-3-4-5-2/h1-4H,(H,9,10)(H,11,12);3-4H2,1-2H3
InChIKeyWVFJXKSGMOGDNH-UHFFFAOYSA-N
XLogP2.13
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

decane;phthalic acid
CID 158763790
2-(3-methoxypropoxycarbonyl)benzoic acid
CID 150715218
2-[2-methoxyethyl(methyl)carbamoyl]benzoic acid
CID 61041287
butane;copper(1+);phthalic acid
CID 126743999
2-butoxycarbonylbenzoic acid;hydrate
CID 141267368
methanediol;phthalic acid
CID 70525231
phthalic acid;propanal
CID 160555514
CID 66717184
CID 66717184
hydron;phthalic acid
CID 67386665
phthalic acid;hydrobromide
CID 71236392
ethyl butanoate;phthalic acid
CID 175043682
CID 174469049
CID 174469049

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropane;phthalic acid?
The IUPAC name of 1-methoxypropane;phthalic acid (CID 174535712) is 1-methoxypropane;phthalic acid.
What is the SMILES notation for 1-methoxypropane;phthalic acid?
The canonical SMILES for 1-methoxypropane;phthalic acid is CCCOC.O=C(O)c1ccccc1C(=O)O.
What is the InChIKey of 1-methoxypropane;phthalic acid?
The InChIKey is WVFJXKSGMOGDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.C4H10O/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-3-4-5-2/h1-4H,(H,9,10)(H,11,12);3-4H2,1-2H3.
What are the key properties of 1-methoxypropane;phthalic acid?
1-methoxypropane;phthalic acid has a molecular weight of 240.25 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropane;phthalic acid is sourced from PubChem (CID 174535712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).