ethane;2-[(3-hydroxyphenoxy)methyl]benzoic acid

C18H24O4 — CID 91444077

IUPACethane;2-[(3-hydroxyphenoxy)methyl]benzoic acid
SMILESCC.CC.O=C(O)c1ccccc1COc1cccc(O)c1
InChIInChI=1S/C14H12O4.2C2H6/c15-11-5-3-6-12(8-11)18-9-10-4-1-2-7-13(10)14(16)17;2*1-2/h1-8,15H,9H2,(H,16,17);2*1-2H3
InChIKeyYZYPEVNYKYRFRJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.72
Rot. Bonds4

About ethane;2-[(3-hydroxyphenoxy)methyl]benzoic acid

ethane;2-[(3-hydroxyphenoxy)methyl]benzoic acid (PubChem CID 91444077) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethane;2-[(3-hydroxyphenoxy)methyl]benzoic acid.

Molecular Properties

Compound Nameethane;2-[(3-hydroxyphenoxy)methyl]benzoic acid
PubChem CID91444077
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Nameethane;2-[(3-hydroxyphenoxy)methyl]benzoic acid
SMILESCC.CC.O=C(O)c1ccccc1COc1cccc(O)c1
InChIInChI=1S/C14H12O4.2C2H6/c15-11-5-3-6-12(8-11)18-9-10-4-1-2-7-13(10)14(16)17;2*1-2/h1-8,15H,9H2,(H,16,17);2*1-2H3
InChIKeyYZYPEVNYKYRFRJ-UHFFFAOYSA-N
XLogP4.72
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-acetylphenoxy)methyl]benzoic acid
CID 43473132
acetic acid;2-(phenoxymethyl)benzoic acid
CID 154809758
(E)-2-[2-[(3-hydroxyphenoxy)methyl]phenyl]-3-methoxyprop-2-enoic acid
CID 70149297
2-[(3-bromophenoxy)methyl]benzoic acid;methyl 2-[(3-bromophenoxy)methyl]benzoate
CID 67878013
3-[(3-hydroxyphenoxy)methyl]-1-benzofuran-7-carboxylic acid
CID 117181173
methyl (Z)-2-[2-[(3-hydroxyphenoxy)methyl]phenyl]-3-methoxyprop-2-enoate
CID 14857815
methyl (E)-2-[2-[(3-hydroxyphenoxy)methyl]phenyl]-3-methoxyprop-2-enoate
CID 10925060
3-[(3-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid
CID 117171575
2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid
CID 43473200
2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzoic acid
CID 22687325
2-[(3-bromo-4-fluorophenoxy)methyl]benzoic acid
CID 83233799
2-[(3-hydroxyphenoxy)methyl]-6-methylbenzoate
CID 22241290

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(3-hydroxyphenoxy)methyl]benzoic acid?
The IUPAC name of ethane;2-[(3-hydroxyphenoxy)methyl]benzoic acid (CID 91444077) is ethane;2-[(3-hydroxyphenoxy)methyl]benzoic acid.
What is the SMILES notation for ethane;2-[(3-hydroxyphenoxy)methyl]benzoic acid?
The canonical SMILES for ethane;2-[(3-hydroxyphenoxy)methyl]benzoic acid is CC.CC.O=C(O)c1ccccc1COc1cccc(O)c1.
What is the InChIKey of ethane;2-[(3-hydroxyphenoxy)methyl]benzoic acid?
The InChIKey is YZYPEVNYKYRFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4.2C2H6/c15-11-5-3-6-12(8-11)18-9-10-4-1-2-7-13(10)14(16)17;2*1-2/h1-8,15H,9H2,(H,16,17);2*1-2H3.
What are the key properties of ethane;2-[(3-hydroxyphenoxy)methyl]benzoic acid?
ethane;2-[(3-hydroxyphenoxy)methyl]benzoic acid has a molecular weight of 304.39 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(3-hydroxyphenoxy)methyl]benzoic acid is sourced from PubChem (CID 91444077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).