5-(4-methoxy-3-propan-2-ylphenyl)pentane-2,3-diol

C15H24O3 — CID 83926893

IUPAC5-(4-methoxy-3-propan-2-ylphenyl)pentane-2,3-diol
SMILESCOc1ccc(CCC(O)C(C)O)cc1C(C)C
InChIInChI=1S/C15H24O3/c1-10(2)13-9-12(6-8-15(13)18-4)5-7-14(17)11(3)16/h6,8-11,14,16-17H,5,7H2,1-4H3
InChIKeySLCJMUMUZMIFQH-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.49
Rot. Bonds6

About 5-(4-methoxy-3-propan-2-ylphenyl)pentane-2,3-diol

5-(4-methoxy-3-propan-2-ylphenyl)pentane-2,3-diol (PubChem CID 83926893) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 5-(4-methoxy-3-propan-2-ylphenyl)pentane-2,3-diol.

Molecular Properties

Compound Name5-(4-methoxy-3-propan-2-ylphenyl)pentane-2,3-diol
PubChem CID83926893
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name5-(4-methoxy-3-propan-2-ylphenyl)pentane-2,3-diol
SMILESCOc1ccc(CCC(O)C(C)O)cc1C(C)C
InChIInChI=1S/C15H24O3/c1-10(2)13-9-12(6-8-15(13)18-4)5-7-14(17)11(3)16/h6,8-11,14,16-17H,5,7H2,1-4H3
InChIKeySLCJMUMUZMIFQH-UHFFFAOYSA-N
XLogP2.49
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chloro-4-methoxyphenyl)pentane-2,3-diol
CID 83928573
5-(3-tert-butyl-4-methoxyphenyl)pentane-2,3-diol
CID 83936813
1-methoxy-4-(4-methylpentyl)-2-propan-2-ylbenzene
CID 163377100
2-(4-methoxy-3-propan-2-ylphenyl)ethanethiol
CID 82126770
1-(4-ethoxy-3-propan-2-ylphenyl)hexane-3,4-diol
CID 83935305
1-(3,4-dimethoxyphenyl)hexane-3,4-diol
CID 83928894
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid
CID 10060027
5-(3,4-dipropoxyphenyl)pentane-2,3-diol
CID 83932064
3-(4-methoxy-3-propan-2-ylphenyl)-N-methylpropan-1-amine
CID 94683968
N-(chloromethyl)-2-(4-methoxy-3-propan-2-ylphenyl)-N-methylethanamine
CID 115263486
4-(4-methoxy-3-propan-2-ylphenyl)butanethioamide
CID 83926834

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-propan-2-ylphenyl)pentane-2,3-diol?
The IUPAC name of 5-(4-methoxy-3-propan-2-ylphenyl)pentane-2,3-diol (CID 83926893) is 5-(4-methoxy-3-propan-2-ylphenyl)pentane-2,3-diol.
What is the SMILES notation for 5-(4-methoxy-3-propan-2-ylphenyl)pentane-2,3-diol?
The canonical SMILES for 5-(4-methoxy-3-propan-2-ylphenyl)pentane-2,3-diol is COc1ccc(CCC(O)C(C)O)cc1C(C)C.
What is the InChIKey of 5-(4-methoxy-3-propan-2-ylphenyl)pentane-2,3-diol?
The InChIKey is SLCJMUMUZMIFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-10(2)13-9-12(6-8-15(13)18-4)5-7-14(17)11(3)16/h6,8-11,14,16-17H,5,7H2,1-4H3.
What are the key properties of 5-(4-methoxy-3-propan-2-ylphenyl)pentane-2,3-diol?
5-(4-methoxy-3-propan-2-ylphenyl)pentane-2,3-diol has a molecular weight of 252.35 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-propan-2-ylphenyl)pentane-2,3-diol is sourced from PubChem (CID 83926893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).