ethane;4-(phenoxymethyl)benzoic acid;propane

C19H26O3 — CID 144638943

IUPACethane;4-(phenoxymethyl)benzoic acid;propane
SMILESCC.CCC.O=C(O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C14H12O3.C3H8.C2H6/c15-14(16)12-8-6-11(7-9-12)10-17-13-4-2-1-3-5-13;1-3-2;1-2/h1-9H,10H2,(H,15,16);3H2,1-2H3;1-2H3
InChIKeyUDPXZOJKMZOGMU-UHFFFAOYSA-N
MW302.41 g/mol
LogP5.41
Rot. Bonds4

About ethane;4-(phenoxymethyl)benzoic acid;propane

ethane;4-(phenoxymethyl)benzoic acid;propane (PubChem CID 144638943) has the molecular formula C19H26O3 and a molecular weight of 302.41 g/mol. Its IUPAC name is ethane;4-(phenoxymethyl)benzoic acid;propane.

Molecular Properties

Compound Nameethane;4-(phenoxymethyl)benzoic acid;propane
PubChem CID144638943
Molecular FormulaC19H26O3
Molecular Weight302.41 g/mol
Exact Mass302.19
IUPAC Nameethane;4-(phenoxymethyl)benzoic acid;propane
SMILESCC.CCC.O=C(O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C14H12O3.C3H8.C2H6/c15-14(16)12-8-6-11(7-9-12)10-17-13-4-2-1-3-5-13;1-3-2;1-2/h1-9H,10H2,(H,15,16);3H2,1-2H3;1-2H3
InChIKeyUDPXZOJKMZOGMU-UHFFFAOYSA-N
XLogP5.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.41
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenylmethoxybenzoic acid
CID 68896574
4-[(4-ethylphenoxy)methyl]benzoic acid
CID 585022
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878
4-[[4-(2-oxopropyl)phenoxy]methyl]benzoic acid
CID 115493805
4-[(4-octoxyphenyl)methoxy]benzoic acid
CID 57070929
4-[(4-bromophenyl)methoxy]benzoic acid
CID 8706939
4-[(3,5-dimethoxyphenoxy)methyl]benzoic acid
CID 43238029
propan-2-yl 4-(phenoxymethyl)benzoate
CID 55357147
N-pentan-3-yl-4-(phenoxymethyl)benzamide
CID 55345339
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672

Frequently Asked Questions

What is the IUPAC name of ethane;4-(phenoxymethyl)benzoic acid;propane?
The IUPAC name of ethane;4-(phenoxymethyl)benzoic acid;propane (CID 144638943) is ethane;4-(phenoxymethyl)benzoic acid;propane.
What is the SMILES notation for ethane;4-(phenoxymethyl)benzoic acid;propane?
The canonical SMILES for ethane;4-(phenoxymethyl)benzoic acid;propane is CC.CCC.O=C(O)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of ethane;4-(phenoxymethyl)benzoic acid;propane?
The InChIKey is UDPXZOJKMZOGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3.C3H8.C2H6/c15-14(16)12-8-6-11(7-9-12)10-17-13-4-2-1-3-5-13;1-3-2;1-2/h1-9H,10H2,(H,15,16);3H2,1-2H3;1-2H3.
What are the key properties of ethane;4-(phenoxymethyl)benzoic acid;propane?
ethane;4-(phenoxymethyl)benzoic acid;propane has a molecular weight of 302.41 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(phenoxymethyl)benzoic acid;propane is sourced from PubChem (CID 144638943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).