benzoic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol

C23H31NO4 — CID 25265778

IUPACbenzoic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
SMILESCN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.O=C(O)c1ccccc1
InChIInChI=1S/C16H25NO2.C7H6O2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;8-7(9)6-4-2-1-3-5-6/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1-5H,(H,8,9)
InChIKeyDGJCDBBBNQGOIR-UHFFFAOYSA-N
MW385.50 g/mol
LogP4.12
Rot. Bonds5

About benzoic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol

benzoic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol (PubChem CID 25265778) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is benzoic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol.

Molecular Properties

Compound Namebenzoic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
PubChem CID25265778
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Namebenzoic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
SMILESCN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.O=C(O)c1ccccc1
InChIInChI=1S/C16H25NO2.C7H6O2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;8-7(9)6-4-2-1-3-5-6/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1-5H,(H,8,9)
InChIKeyDGJCDBBBNQGOIR-UHFFFAOYSA-N
XLogP4.12
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzoic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol?
The IUPAC name of benzoic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol (CID 25265778) is benzoic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol.
What is the SMILES notation for benzoic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol?
The canonical SMILES for benzoic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol is CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.O=C(O)c1ccccc1.
What is the InChIKey of benzoic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol?
The InChIKey is DGJCDBBBNQGOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2.C7H6O2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;8-7(9)6-4-2-1-3-5-6/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1-5H,(H,8,9).
What are the key properties of benzoic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol?
benzoic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol has a molecular weight of 385.50 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol is sourced from PubChem (CID 25265778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).