1-[4-(4-phenylmethoxyphenoxy)phenoxy]propan-2-ylcarbamic acid

C23H23NO5 — CID 67071566

IUPAC1-[4-(4-phenylmethoxyphenoxy)phenoxy]propan-2-ylcarbamic acid
SMILESCC(COc1ccc(Oc2ccc(OCc3ccccc3)cc2)cc1)NC(=O)O
InChIInChI=1S/C23H23NO5/c1-17(24-23(25)26)15-27-19-7-11-21(12-8-19)29-22-13-9-20(10-14-22)28-16-18-5-3-2-4-6-18/h2-14,17,24H,15-16H2,1H3,(H,25,26)
InChIKeyQEWSSUJBSQWHDP-UHFFFAOYSA-N
MW393.44 g/mol
LogP5.09
Rot. Bonds9

About 1-[4-(4-phenylmethoxyphenoxy)phenoxy]propan-2-ylcarbamic acid

1-[4-(4-phenylmethoxyphenoxy)phenoxy]propan-2-ylcarbamic acid (PubChem CID 67071566) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is 1-[4-(4-phenylmethoxyphenoxy)phenoxy]propan-2-ylcarbamic acid.

Molecular Properties

Compound Name1-[4-(4-phenylmethoxyphenoxy)phenoxy]propan-2-ylcarbamic acid
PubChem CID67071566
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name1-[4-(4-phenylmethoxyphenoxy)phenoxy]propan-2-ylcarbamic acid
SMILESCC(COc1ccc(Oc2ccc(OCc3ccccc3)cc2)cc1)NC(=O)O
InChIInChI=1S/C23H23NO5/c1-17(24-23(25)26)15-27-19-7-11-21(12-8-19)29-22-13-9-20(10-14-22)28-16-18-5-3-2-4-6-18/h2-14,17,24H,15-16H2,1H3,(H,25,26)
InChIKeyQEWSSUJBSQWHDP-UHFFFAOYSA-N
XLogP5.09
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.44
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(4-hydroxyphenoxy)propan-2-yl]carbamic acid
CID 90097336
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-phenylmethoxybenzamide
CID 97498534
(2R)-2-[[(2R)-1-phenoxypropan-2-yl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one
CID 92938934
1-(4-phenylmethoxyphenoxy)propan-2-yl acetate
CID 54480267
(4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone
CID 58133171
(2R)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490297
(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490295
1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
CID 110755142
1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
CID 3030941
2,2-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]propanamide
CID 94625062
(4-oxo-4-phenylmethoxybutan-2-yl)carbamic acid
CID 144536072
2-(4-phenylmethoxyanilino)propanoic acid
CID 22078170

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-phenylmethoxyphenoxy)phenoxy]propan-2-ylcarbamic acid?
The IUPAC name of 1-[4-(4-phenylmethoxyphenoxy)phenoxy]propan-2-ylcarbamic acid (CID 67071566) is 1-[4-(4-phenylmethoxyphenoxy)phenoxy]propan-2-ylcarbamic acid.
What is the SMILES notation for 1-[4-(4-phenylmethoxyphenoxy)phenoxy]propan-2-ylcarbamic acid?
The canonical SMILES for 1-[4-(4-phenylmethoxyphenoxy)phenoxy]propan-2-ylcarbamic acid is CC(COc1ccc(Oc2ccc(OCc3ccccc3)cc2)cc1)NC(=O)O.
What is the InChIKey of 1-[4-(4-phenylmethoxyphenoxy)phenoxy]propan-2-ylcarbamic acid?
The InChIKey is QEWSSUJBSQWHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5/c1-17(24-23(25)26)15-27-19-7-11-21(12-8-19)29-22-13-9-20(10-14-22)28-16-18-5-3-2-4-6-18/h2-14,17,24H,15-16H2,1H3,(H,25,26).
What are the key properties of 1-[4-(4-phenylmethoxyphenoxy)phenoxy]propan-2-ylcarbamic acid?
1-[4-(4-phenylmethoxyphenoxy)phenoxy]propan-2-ylcarbamic acid has a molecular weight of 393.44 g/mol, XLogP of 5.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-phenylmethoxyphenoxy)phenoxy]propan-2-ylcarbamic acid is sourced from PubChem (CID 67071566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).