4-[(2S,3R)-2-amino-3-hydroxydodecyl]phenol

C18H31NO2 — CID 118735813

IUPAC4-[(2S,3R)-2-amino-3-hydroxydodecyl]phenol
SMILESCCCCCCCCC[C@@H](O)[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C18H31NO2/c1-2-3-4-5-6-7-8-9-18(21)17(19)14-15-10-12-16(20)13-11-15/h10-13,17-18,20-21H,2-9,14,19H2,1H3/t17-,18+/m0/s1
InChIKeyWWOPPICVIGMOIP-ZWKOTPCHSA-N
MW293.45 g/mol
LogP3.76
Rot. Bonds11

About 4-[(2S,3R)-2-amino-3-hydroxydodecyl]phenol

4-[(2S,3R)-2-amino-3-hydroxydodecyl]phenol (PubChem CID 118735813) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-[(2S,3R)-2-amino-3-hydroxydodecyl]phenol.

Molecular Properties

Compound Name4-[(2S,3R)-2-amino-3-hydroxydodecyl]phenol
PubChem CID118735813
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name4-[(2S,3R)-2-amino-3-hydroxydodecyl]phenol
SMILESCCCCCCCCC[C@@H](O)[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C18H31NO2/c1-2-3-4-5-6-7-8-9-18(21)17(19)14-15-10-12-16(20)13-11-15/h10-13,17-18,20-21H,2-9,14,19H2,1H3/t17-,18+/m0/s1
InChIKeyWWOPPICVIGMOIP-ZWKOTPCHSA-N
XLogP3.76
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(2S,3R)-2-amino-3-hydroxydodecyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-aminooctyl)phenol
CID 69403996
(2S,3R)-2-amino-1-phenyloctadecan-3-ol
CID 118735812
1-(4-hydroxyphenyl)octane-2,3-diol
CID 91510264
4-(2-butyltetradecyl)phenol
CID 70630098
1-(4-hydroxyphenyl)heptane-2,3-diol
CID 91525672
4-[2-[1-(4-hydroxyphenyl)dodecan-2-ylsulfanyl]dodecyl]phenol
CID 21440314
4-(2-butylheptyl)phenol
CID 118370129
13-aminoheptacosan-12-ol
CID 118194809
1-(4-ethylphenyl)undecan-2-amine
CID 115803351
N-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)tetradecan-2-yl]acetamide
CID 156581196
(4S,5S)-4-aminotridecan-5-ol
CID 10584805
4-(1-aminododecyl)phenol
CID 174770403

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3R)-2-amino-3-hydroxydodecyl]phenol?
The IUPAC name of 4-[(2S,3R)-2-amino-3-hydroxydodecyl]phenol (CID 118735813) is 4-[(2S,3R)-2-amino-3-hydroxydodecyl]phenol.
What is the SMILES notation for 4-[(2S,3R)-2-amino-3-hydroxydodecyl]phenol?
The canonical SMILES for 4-[(2S,3R)-2-amino-3-hydroxydodecyl]phenol is CCCCCCCCC[C@@H](O)[C@@H](N)Cc1ccc(O)cc1.
What is the InChIKey of 4-[(2S,3R)-2-amino-3-hydroxydodecyl]phenol?
The InChIKey is WWOPPICVIGMOIP-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H31NO2/c1-2-3-4-5-6-7-8-9-18(21)17(19)14-15-10-12-16(20)13-11-15/h10-13,17-18,20-21H,2-9,14,19H2,1H3/t17-,18+/m0/s1.
What are the key properties of 4-[(2S,3R)-2-amino-3-hydroxydodecyl]phenol?
4-[(2S,3R)-2-amino-3-hydroxydodecyl]phenol has a molecular weight of 293.45 g/mol, XLogP of 3.76, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3R)-2-amino-3-hydroxydodecyl]phenol is sourced from PubChem (CID 118735813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).