ethyl 4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxybenzoate

C19H19FO4 — CID 68990609

IUPACethyl 4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxybenzoate
SMILESCCOC(=O)c1cc(O)c(Cc2ccc(OC3CC3)cc2)c(F)c1
InChIInChI=1S/C19H19FO4/c1-2-23-19(22)13-10-17(20)16(18(21)11-13)9-12-3-5-14(6-4-12)24-15-7-8-15/h3-6,10-11,15,21H,2,7-9H2,1H3
InChIKeyDQWKRJNCAKKTQK-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.84
Rot. Bonds6

About ethyl 4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxybenzoate

ethyl 4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxybenzoate (PubChem CID 68990609) has the molecular formula C19H19FO4 and a molecular weight of 330.36 g/mol. Its IUPAC name is ethyl 4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxybenzoate
PubChem CID68990609
Molecular FormulaC19H19FO4
Molecular Weight330.36 g/mol
Exact Mass330.13
IUPAC Nameethyl 4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxybenzoate
SMILESCCOC(=O)c1cc(O)c(Cc2ccc(OC3CC3)cc2)c(F)c1
InChIInChI=1S/C19H19FO4/c1-2-23-19(22)13-10-17(20)16(18(21)11-13)9-12-3-5-14(6-4-12)24-15-7-8-15/h3-6,10-11,15,21H,2,7-9H2,1H3
InChIKeyDQWKRJNCAKKTQK-UHFFFAOYSA-N
XLogP3.84
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 157032
CID 157032
CID 2802556
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CID 4433908
CID 4433908
CID 585049
CID 585049
CID 586709
CID 586709
CID 649175
CID 649175
CID 189485
CID 189485
CID 11555148
CID 11555148
CID 11616925
CID 11616925
CID 14368760
CID 14368760
CID 134465785
CID 134465785
CID 222268
CID 222268

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxybenzoate?
The IUPAC name of ethyl 4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxybenzoate (CID 68990609) is ethyl 4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxybenzoate.
What is the SMILES notation for ethyl 4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxybenzoate?
The canonical SMILES for ethyl 4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxybenzoate is CCOC(=O)c1cc(O)c(Cc2ccc(OC3CC3)cc2)c(F)c1.
What is the InChIKey of ethyl 4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxybenzoate?
The InChIKey is DQWKRJNCAKKTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO4/c1-2-23-19(22)13-10-17(20)16(18(21)11-13)9-12-3-5-14(6-4-12)24-15-7-8-15/h3-6,10-11,15,21H,2,7-9H2,1H3.
What are the key properties of ethyl 4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxybenzoate?
ethyl 4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxybenzoate has a molecular weight of 330.36 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxybenzoate is sourced from PubChem (CID 68990609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).