[[4-(2,4-dihydroxyphenyl)cyclohexyl]-phenylmethyl]carbamic acid

C20H23NO4 — CID 70032507

IUPAC[[4-(2,4-dihydroxyphenyl)cyclohexyl]-phenylmethyl]carbamic acid
SMILESO=C(O)NC(c1ccccc1)C1CCC(c2ccc(O)cc2O)CC1
InChIInChI=1S/C20H23NO4/c22-16-10-11-17(18(23)12-16)13-6-8-15(9-7-13)19(21-20(24)25)14-4-2-1-3-5-14/h1-5,10-13,15,19,21-23H,6-9H2,(H,24,25)
InChIKeyOXBXLGGIGHJTQY-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.38
Rot. Bonds4

About [[4-(2,4-dihydroxyphenyl)cyclohexyl]-phenylmethyl]carbamic acid

[[4-(2,4-dihydroxyphenyl)cyclohexyl]-phenylmethyl]carbamic acid (PubChem CID 70032507) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [[4-(2,4-dihydroxyphenyl)cyclohexyl]-phenylmethyl]carbamic acid.

Molecular Properties

Compound Name[[4-(2,4-dihydroxyphenyl)cyclohexyl]-phenylmethyl]carbamic acid
PubChem CID70032507
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[[4-(2,4-dihydroxyphenyl)cyclohexyl]-phenylmethyl]carbamic acid
SMILESO=C(O)NC(c1ccccc1)C1CCC(c2ccc(O)cc2O)CC1
InChIInChI=1S/C20H23NO4/c22-16-10-11-17(18(23)12-16)13-6-8-15(9-7-13)19(21-20(24)25)14-4-2-1-3-5-14/h1-5,10-13,15,19,21-23H,6-9H2,(H,24,25)
InChIKeyOXBXLGGIGHJTQY-UHFFFAOYSA-N
XLogP4.38
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [[4-(2,4-dihydroxyphenyl)cyclohexyl]-phenylmethyl]carbamic acid?
The IUPAC name of [[4-(2,4-dihydroxyphenyl)cyclohexyl]-phenylmethyl]carbamic acid (CID 70032507) is [[4-(2,4-dihydroxyphenyl)cyclohexyl]-phenylmethyl]carbamic acid.
What is the SMILES notation for [[4-(2,4-dihydroxyphenyl)cyclohexyl]-phenylmethyl]carbamic acid?
The canonical SMILES for [[4-(2,4-dihydroxyphenyl)cyclohexyl]-phenylmethyl]carbamic acid is O=C(O)NC(c1ccccc1)C1CCC(c2ccc(O)cc2O)CC1.
What is the InChIKey of [[4-(2,4-dihydroxyphenyl)cyclohexyl]-phenylmethyl]carbamic acid?
The InChIKey is OXBXLGGIGHJTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c22-16-10-11-17(18(23)12-16)13-6-8-15(9-7-13)19(21-20(24)25)14-4-2-1-3-5-14/h1-5,10-13,15,19,21-23H,6-9H2,(H,24,25).
What are the key properties of [[4-(2,4-dihydroxyphenyl)cyclohexyl]-phenylmethyl]carbamic acid?
[[4-(2,4-dihydroxyphenyl)cyclohexyl]-phenylmethyl]carbamic acid has a molecular weight of 341.41 g/mol, XLogP of 4.38, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(2,4-dihydroxyphenyl)cyclohexyl]-phenylmethyl]carbamic acid is sourced from PubChem (CID 70032507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).