1-phenyl-2-propan-2-yldecane-1,1-diol

C19H32O2 — CID 151363908

IUPAC1-phenyl-2-propan-2-yldecane-1,1-diol
SMILESCCCCCCCCC(C(C)C)C(O)(O)c1ccccc1
InChIInChI=1S/C19H32O2/c1-4-5-6-7-8-12-15-18(16(2)3)19(20,21)17-13-10-9-11-14-17/h9-11,13-14,16,18,20-21H,4-8,12,15H2,1-3H3
InChIKeyOPAOHULOZFCKER-UHFFFAOYSA-N
MW292.46 g/mol
LogP4.85
Rot. Bonds10

About 1-phenyl-2-propan-2-yldecane-1,1-diol

1-phenyl-2-propan-2-yldecane-1,1-diol (PubChem CID 151363908) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 1-phenyl-2-propan-2-yldecane-1,1-diol.

Molecular Properties

Compound Name1-phenyl-2-propan-2-yldecane-1,1-diol
PubChem CID151363908
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name1-phenyl-2-propan-2-yldecane-1,1-diol
SMILESCCCCCCCCC(C(C)C)C(O)(O)c1ccccc1
InChIInChI=1S/C19H32O2/c1-4-5-6-7-8-12-15-18(16(2)3)19(20,21)17-13-10-9-11-14-17/h9-11,13-14,16,18,20-21H,4-8,12,15H2,1-3H3
InChIKeyOPAOHULOZFCKER-UHFFFAOYSA-N
XLogP4.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(octan-2-ylamino)-2-phenylpropan-2-ol
CID 62373527
(2-butyl-1,1-diphenyldecyl)benzene
CID 150177254
(3-methyl-2-phenyloctan-2-yl)benzene
CID 174435866
(1-methoxy-2-methyl-1-phenyldecyl)benzene
CID 158531120
5-phenyltetradecan-5-ol
CID 175223116
5-phenylundecan-5-ol
CID 175525363
2-hydroxy-2,3-diphenyloctadecanoic acid
CID 70385778
3-ethoxy-1,1,1-triphenyltridecane-2,2-diol
CID 67840227
(1,1-dimethoxy-2-octyldodecyl)benzene
CID 150569123
(3-ethyl-2-methylnonan-2-yl)benzene
CID 143461703
2-methyl-2-phenylnonan-3-amine
CID 63420123
(1,1-dimethoxy-2-octylundecyl)benzene
CID 151680252

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-propan-2-yldecane-1,1-diol?
The IUPAC name of 1-phenyl-2-propan-2-yldecane-1,1-diol (CID 151363908) is 1-phenyl-2-propan-2-yldecane-1,1-diol.
What is the SMILES notation for 1-phenyl-2-propan-2-yldecane-1,1-diol?
The canonical SMILES for 1-phenyl-2-propan-2-yldecane-1,1-diol is CCCCCCCCC(C(C)C)C(O)(O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-propan-2-yldecane-1,1-diol?
The InChIKey is OPAOHULOZFCKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-4-5-6-7-8-12-15-18(16(2)3)19(20,21)17-13-10-9-11-14-17/h9-11,13-14,16,18,20-21H,4-8,12,15H2,1-3H3.
What are the key properties of 1-phenyl-2-propan-2-yldecane-1,1-diol?
1-phenyl-2-propan-2-yldecane-1,1-diol has a molecular weight of 292.46 g/mol, XLogP of 4.85, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-propan-2-yldecane-1,1-diol is sourced from PubChem (CID 151363908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).