2-(cyclopropylmethoxy)-4-phenylbenzoic acid

C17H16O3 — CID 162369991

IUPAC2-(cyclopropylmethoxy)-4-phenylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2)cc1OCC1CC1
InChIInChI=1S/C17H16O3/c18-17(19)15-9-8-14(13-4-2-1-3-5-13)10-16(15)20-11-12-6-7-12/h1-5,8-10,12H,6-7,11H2,(H,18,19)
InChIKeyUOZFFAPADUCKTN-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.84
Rot. Bonds5

About 2-(cyclopropylmethoxy)-4-phenylbenzoic acid

2-(cyclopropylmethoxy)-4-phenylbenzoic acid (PubChem CID 162369991) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-4-phenylbenzoic acid.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-4-phenylbenzoic acid
PubChem CID162369991
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name2-(cyclopropylmethoxy)-4-phenylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2)cc1OCC1CC1
InChIInChI=1S/C17H16O3/c18-17(19)15-9-8-14(13-4-2-1-3-5-13)10-16(15)20-11-12-6-7-12/h1-5,8-10,12H,6-7,11H2,(H,18,19)
InChIKeyUOZFFAPADUCKTN-UHFFFAOYSA-N
XLogP3.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(cyclopropylmethoxy)benzoic acid
CID 60763604
4-amino-2-(cyclopentylmethoxy)benzoic acid
CID 66321807
2-(2-methylpropoxy)-4-phenylbenzoic acid
CID 162369990
4-chloro-2-(cyclohexylmethoxy)benzoic acid
CID 61379401
2-phenoxy-4-phenylbenzoic acid
CID 139966972
5-amino-2-(cyclopropylmethoxy)benzoic acid
CID 43560606
2-(cyclopropylmethoxy)-6-phenylbenzoic acid
CID 66629657
ethyl 2-ethoxy-4-phenylbenzoate
CID 22494159
1-[2-(cyclopropylmethoxy)-5-phenylphenyl]ethane-1,2-diamine
CID 170895047
3,4-bis(cyclopropylmethoxy)benzoic acid
CID 102594223
4-amino-5-chloro-2-(cyclopropylmethoxy)benzoic acid
CID 14403895
2-(cyclopropylmethoxy)-4-fluorobenzamide
CID 70194943

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-4-phenylbenzoic acid?
The IUPAC name of 2-(cyclopropylmethoxy)-4-phenylbenzoic acid (CID 162369991) is 2-(cyclopropylmethoxy)-4-phenylbenzoic acid.
What is the SMILES notation for 2-(cyclopropylmethoxy)-4-phenylbenzoic acid?
The canonical SMILES for 2-(cyclopropylmethoxy)-4-phenylbenzoic acid is O=C(O)c1ccc(-c2ccccc2)cc1OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-4-phenylbenzoic acid?
The InChIKey is UOZFFAPADUCKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c18-17(19)15-9-8-14(13-4-2-1-3-5-13)10-16(15)20-11-12-6-7-12/h1-5,8-10,12H,6-7,11H2,(H,18,19).
What are the key properties of 2-(cyclopropylmethoxy)-4-phenylbenzoic acid?
2-(cyclopropylmethoxy)-4-phenylbenzoic acid has a molecular weight of 268.31 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-4-phenylbenzoic acid is sourced from PubChem (CID 162369991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).