2-(4-hydroxyphenoxy)-2-methyl-3-[(2-methylphenyl)methoxy]butanoic acid

C19H22O5 — CID 70410018

IUPAC2-(4-hydroxyphenoxy)-2-methyl-3-[(2-methylphenyl)methoxy]butanoic acid
SMILESCc1ccccc1COC(C)C(C)(Oc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C19H22O5/c1-13-6-4-5-7-15(13)12-23-14(2)19(3,18(21)22)24-17-10-8-16(20)9-11-17/h4-11,14,20H,12H2,1-3H3,(H,21,22)
InChIKeyGWEWVAJBGHINGC-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.53
Rot. Bonds7

About 2-(4-hydroxyphenoxy)-2-methyl-3-[(2-methylphenyl)methoxy]butanoic acid

2-(4-hydroxyphenoxy)-2-methyl-3-[(2-methylphenyl)methoxy]butanoic acid (PubChem CID 70410018) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-(4-hydroxyphenoxy)-2-methyl-3-[(2-methylphenyl)methoxy]butanoic acid.

Molecular Properties

Compound Name2-(4-hydroxyphenoxy)-2-methyl-3-[(2-methylphenyl)methoxy]butanoic acid
PubChem CID70410018
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name2-(4-hydroxyphenoxy)-2-methyl-3-[(2-methylphenyl)methoxy]butanoic acid
SMILESCc1ccccc1COC(C)C(C)(Oc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C19H22O5/c1-13-6-4-5-7-15(13)12-23-14(2)19(3,18(21)22)24-17-10-8-16(20)9-11-17/h4-11,14,20H,12H2,1-3H3,(H,21,22)
InChIKeyGWEWVAJBGHINGC-UHFFFAOYSA-N
XLogP3.53
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[2-Fluoro-4-[[3-(2-methylphenyl)phenyl]methoxy]phenoxy]acetic acid
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[4-(4-Hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-phenoxy]-acetic acid
CID 10246057
[4-[1-(4,4'-Dihydroxybenzhydrylidene)propyl]phenoxy]acetic acid
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(4-(Phenylmethoxy)phenoxy)acetic acid
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Ethyl 2-(4-benzyloxyphenoxy)propionate
CID 3516602
4-Hydroxytamoxifen acid
CID 9907598
(S)-2-Ethoxy-3-{4-[3-(4-phenoxy-phenoxy)-propoxy]-phenyl}-propionic acid
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(S)-3-{4-[3-(Biphenyl-4-yloxy)-propoxy]-phenyl}-2-methoxy-propionic acid
CID 10223023
2-Methoxy-3-[4-[3-(4-phenylphenoxy)propoxy]phenyl]propanoic acid
CID 18443245

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenoxy)-2-methyl-3-[(2-methylphenyl)methoxy]butanoic acid?
The IUPAC name of 2-(4-hydroxyphenoxy)-2-methyl-3-[(2-methylphenyl)methoxy]butanoic acid (CID 70410018) is 2-(4-hydroxyphenoxy)-2-methyl-3-[(2-methylphenyl)methoxy]butanoic acid.
What is the SMILES notation for 2-(4-hydroxyphenoxy)-2-methyl-3-[(2-methylphenyl)methoxy]butanoic acid?
The canonical SMILES for 2-(4-hydroxyphenoxy)-2-methyl-3-[(2-methylphenyl)methoxy]butanoic acid is Cc1ccccc1COC(C)C(C)(Oc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 2-(4-hydroxyphenoxy)-2-methyl-3-[(2-methylphenyl)methoxy]butanoic acid?
The InChIKey is GWEWVAJBGHINGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-13-6-4-5-7-15(13)12-23-14(2)19(3,18(21)22)24-17-10-8-16(20)9-11-17/h4-11,14,20H,12H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-hydroxyphenoxy)-2-methyl-3-[(2-methylphenyl)methoxy]butanoic acid?
2-(4-hydroxyphenoxy)-2-methyl-3-[(2-methylphenyl)methoxy]butanoic acid has a molecular weight of 330.38 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenoxy)-2-methyl-3-[(2-methylphenyl)methoxy]butanoic acid is sourced from PubChem (CID 70410018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).