[3-[4-[1-(4-hydroxyphenyl)ethyl]phenoxy]cyclobutyl]carbamic acid

C19H21NO4 — CID 174238917

IUPAC[3-[4-[1-(4-hydroxyphenyl)ethyl]phenoxy]cyclobutyl]carbamic acid
SMILESCC(c1ccc(O)cc1)c1ccc(OC2CC(NC(=O)O)C2)cc1
InChIInChI=1S/C19H21NO4/c1-12(13-2-6-16(21)7-3-13)14-4-8-17(9-5-14)24-18-10-15(11-18)20-19(22)23/h2-9,12,15,18,20-21H,10-11H2,1H3,(H,22,23)
InChIKeyHABXLALOMUUTMJ-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.72
Rot. Bonds5

About [3-[4-[1-(4-hydroxyphenyl)ethyl]phenoxy]cyclobutyl]carbamic acid

[3-[4-[1-(4-hydroxyphenyl)ethyl]phenoxy]cyclobutyl]carbamic acid (PubChem CID 174238917) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [3-[4-[1-(4-hydroxyphenyl)ethyl]phenoxy]cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[3-[4-[1-(4-hydroxyphenyl)ethyl]phenoxy]cyclobutyl]carbamic acid
PubChem CID174238917
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[3-[4-[1-(4-hydroxyphenyl)ethyl]phenoxy]cyclobutyl]carbamic acid
SMILESCC(c1ccc(O)cc1)c1ccc(OC2CC(NC(=O)O)C2)cc1
InChIInChI=1S/C19H21NO4/c1-12(13-2-6-16(21)7-3-13)14-4-8-17(9-5-14)24-18-10-15(11-18)20-19(22)23/h2-9,12,15,18,20-21H,10-11H2,1H3,(H,22,23)
InChIKeyHABXLALOMUUTMJ-UHFFFAOYSA-N
XLogP3.72
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-fluorophenoxy)cyclobutyl]carbamic acid
CID 166790359
[3-[[6-[1-[4-(2-cyanopyrimidin-5-yl)oxyphenyl]ethyl]-3-pyridinyl]oxy]cyclobutyl]carbamic acid
CID 174238981
4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116
[3-(3-fluoro-2-methylphenoxy)cyclobutyl]carbamic acid
CID 67813271
4-[1-(4-methylphenyl)ethyl]phenol
CID 23036862
[3-[4-[2-[4-[(6-bromo-3-pyridinyl)oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid
CID 174238808
[3-[4-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid
CID 174239001
2-(2-hydrazinyl-2-oxoethoxy)acetohydrazide;4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 68738715
[3-[4-[2-[4-[(2-bromo-4-pyridinyl)oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid
CID 174238883
[3-[4-[2-[4-[6-(hydroxymethyl)pyridazin-3-yl]oxyphenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid
CID 174238957
[3-[4-[2-[4-(4-cyanopyrimidin-2-yl)oxyphenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid
CID 174238856
[(1S)-1-(4-hydroxyphenyl)ethyl]carbamic acid
CID 69394441

Frequently Asked Questions

What is the IUPAC name of [3-[4-[1-(4-hydroxyphenyl)ethyl]phenoxy]cyclobutyl]carbamic acid?
The IUPAC name of [3-[4-[1-(4-hydroxyphenyl)ethyl]phenoxy]cyclobutyl]carbamic acid (CID 174238917) is [3-[4-[1-(4-hydroxyphenyl)ethyl]phenoxy]cyclobutyl]carbamic acid.
What is the SMILES notation for [3-[4-[1-(4-hydroxyphenyl)ethyl]phenoxy]cyclobutyl]carbamic acid?
The canonical SMILES for [3-[4-[1-(4-hydroxyphenyl)ethyl]phenoxy]cyclobutyl]carbamic acid is CC(c1ccc(O)cc1)c1ccc(OC2CC(NC(=O)O)C2)cc1.
What is the InChIKey of [3-[4-[1-(4-hydroxyphenyl)ethyl]phenoxy]cyclobutyl]carbamic acid?
The InChIKey is HABXLALOMUUTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-12(13-2-6-16(21)7-3-13)14-4-8-17(9-5-14)24-18-10-15(11-18)20-19(22)23/h2-9,12,15,18,20-21H,10-11H2,1H3,(H,22,23).
What are the key properties of [3-[4-[1-(4-hydroxyphenyl)ethyl]phenoxy]cyclobutyl]carbamic acid?
[3-[4-[1-(4-hydroxyphenyl)ethyl]phenoxy]cyclobutyl]carbamic acid has a molecular weight of 327.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[1-(4-hydroxyphenyl)ethyl]phenoxy]cyclobutyl]carbamic acid is sourced from PubChem (CID 174238917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).