ethane;5-(4-hydroxyphenyl)-2-methylpentanoic acid

C14H22O3 — CID 156638477

IUPACethane;5-(4-hydroxyphenyl)-2-methylpentanoic acid
SMILESCC.CC(CCCc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C12H16O3.C2H6/c1-9(12(14)15)3-2-4-10-5-7-11(13)8-6-10;1-2/h5-9,13H,2-4H2,1H3,(H,14,15);1-2H3
InChIKeyPLEHBUKXUIALIC-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.46
Rot. Bonds5

About ethane;5-(4-hydroxyphenyl)-2-methylpentanoic acid

ethane;5-(4-hydroxyphenyl)-2-methylpentanoic acid (PubChem CID 156638477) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is ethane;5-(4-hydroxyphenyl)-2-methylpentanoic acid.

Molecular Properties

Compound Nameethane;5-(4-hydroxyphenyl)-2-methylpentanoic acid
PubChem CID156638477
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Nameethane;5-(4-hydroxyphenyl)-2-methylpentanoic acid
SMILESCC.CC(CCCc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C12H16O3.C2H6/c1-9(12(14)15)3-2-4-10-5-7-11(13)8-6-10;1-2/h5-9,13H,2-4H2,1H3,(H,14,15);1-2H3
InChIKeyPLEHBUKXUIALIC-UHFFFAOYSA-N
XLogP3.46
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 56631136
(2S)-2-hydroxy-5-(4-hydroxyphenyl)pentanoic acid
CID 139906283
2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 175893431
4-(4-methylpentyl)phenol;phenol
CID 174866001
ethane;2-methyl-4-(4-phenylphenyl)butanoic acid
CID 144791729
5-[4-(3-chlorophenyl)phenyl]-2-methylpentanoic acid
CID 154249541
3-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]-2-methylpropanoic acid
CID 65067286
8-(4-hydroxyphenoxy)-2-methyloctanoic acid
CID 10220978
4-[4,4-bis(4-hydroxyphenyl)butyl]phenol
CID 56999686
2-methyl-4-phenylbutanoic acid
CID 66896591
3-methyl-6-phenylhexan-2-one
CID 59396975
4-(4-methyl-5-phenylpentyl)phenol
CID 158681288

Frequently Asked Questions

What is the IUPAC name of ethane;5-(4-hydroxyphenyl)-2-methylpentanoic acid?
The IUPAC name of ethane;5-(4-hydroxyphenyl)-2-methylpentanoic acid (CID 156638477) is ethane;5-(4-hydroxyphenyl)-2-methylpentanoic acid.
What is the SMILES notation for ethane;5-(4-hydroxyphenyl)-2-methylpentanoic acid?
The canonical SMILES for ethane;5-(4-hydroxyphenyl)-2-methylpentanoic acid is CC.CC(CCCc1ccc(O)cc1)C(=O)O.
What is the InChIKey of ethane;5-(4-hydroxyphenyl)-2-methylpentanoic acid?
The InChIKey is PLEHBUKXUIALIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3.C2H6/c1-9(12(14)15)3-2-4-10-5-7-11(13)8-6-10;1-2/h5-9,13H,2-4H2,1H3,(H,14,15);1-2H3.
What are the key properties of ethane;5-(4-hydroxyphenyl)-2-methylpentanoic acid?
ethane;5-(4-hydroxyphenyl)-2-methylpentanoic acid has a molecular weight of 238.33 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(4-hydroxyphenyl)-2-methylpentanoic acid is sourced from PubChem (CID 156638477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).