acetic acid;guanidine;1-phenylcyclohexan-1-ol

C15H25N3O3 — CID 174473231

IUPACacetic acid;guanidine;1-phenylcyclohexan-1-ol
SMILESCC(=O)O.OC1(c2ccccc2)CCCCC1.[H]N=C(N)N
InChIInChI=1S/C12H16O.C2H4O2.CH5N3/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11;1-2(3)4;2-1(3)4/h1,3-4,7-8,13H,2,5-6,9-10H2;1H3,(H,3,4);(H5,2,3,4)
InChIKeySCOPUVSUWZZOTH-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.77
Rot. Bonds1

About acetic acid;guanidine;1-phenylcyclohexan-1-ol

acetic acid;guanidine;1-phenylcyclohexan-1-ol (PubChem CID 174473231) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is acetic acid;guanidine;1-phenylcyclohexan-1-ol.

Molecular Properties

Compound Nameacetic acid;guanidine;1-phenylcyclohexan-1-ol
PubChem CID174473231
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Nameacetic acid;guanidine;1-phenylcyclohexan-1-ol
SMILESCC(=O)O.OC1(c2ccccc2)CCCCC1.[H]N=C(N)N
InChIInChI=1S/C12H16O.C2H4O2.CH5N3/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11;1-2(3)4;2-1(3)4/h1,3-4,7-8,13H,2,5-6,9-10H2;1H3,(H,3,4);(H5,2,3,4)
InChIKeySCOPUVSUWZZOTH-UHFFFAOYSA-N
XLogP1.77
TPSA133.42 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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CID 144640846
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CID 175547532
3-(1-hydroxycyclohexyl)benzamide
CID 175712607
acetic acid;azane;N-ethyl-1-phenylcyclohexan-1-amine
CID 19095095
dimethylcarbamothioyl N,N-dimethylcarbamodithioate;1-phenylcyclohexan-1-ol
CID 174917912
1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid;1-phenylcyclohexan-1-ol
CID 174747491
1-phenylcyclopentane-1-carboxamide;dihydrochloride
CID 142770378
ethane;4-hydroxy-4-phenylcyclohexan-1-one
CID 91155635
2-(4-hydroxy-1-iodo-4-phenylthian-1-yl)acetic acid
CID 134882188
4-ethyl-1-phenylcycloheptan-1-ol
CID 65085687
4-hydroxy-4-phenylcyclohexane-1-carboxylic acid
CID 58909501

Frequently Asked Questions

What is the IUPAC name of acetic acid;guanidine;1-phenylcyclohexan-1-ol?
The IUPAC name of acetic acid;guanidine;1-phenylcyclohexan-1-ol (CID 174473231) is acetic acid;guanidine;1-phenylcyclohexan-1-ol.
What is the SMILES notation for acetic acid;guanidine;1-phenylcyclohexan-1-ol?
The canonical SMILES for acetic acid;guanidine;1-phenylcyclohexan-1-ol is CC(=O)O.OC1(c2ccccc2)CCCCC1.[H]N=C(N)N.
What is the InChIKey of acetic acid;guanidine;1-phenylcyclohexan-1-ol?
The InChIKey is SCOPUVSUWZZOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O.C2H4O2.CH5N3/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11;1-2(3)4;2-1(3)4/h1,3-4,7-8,13H,2,5-6,9-10H2;1H3,(H,3,4);(H5,2,3,4).
What are the key properties of acetic acid;guanidine;1-phenylcyclohexan-1-ol?
acetic acid;guanidine;1-phenylcyclohexan-1-ol has a molecular weight of 295.38 g/mol, XLogP of 1.77, 1 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;guanidine;1-phenylcyclohexan-1-ol is sourced from PubChem (CID 174473231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).