5-pentyl-4-propan-2-yloxybenzene-1,3-diol

C14H22O3 — CID 118547749

IUPAC5-pentyl-4-propan-2-yloxybenzene-1,3-diol
SMILESCCCCCc1cc(O)cc(O)c1OC(C)C
InChIInChI=1S/C14H22O3/c1-4-5-6-7-11-8-12(15)9-13(16)14(11)17-10(2)3/h8-10,15-16H,4-7H2,1-3H3
InChIKeyLZLYFXPTEPERHL-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.62
Rot. Bonds6

About 5-pentyl-4-propan-2-yloxybenzene-1,3-diol

5-pentyl-4-propan-2-yloxybenzene-1,3-diol (PubChem CID 118547749) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-pentyl-4-propan-2-yloxybenzene-1,3-diol.

Molecular Properties

Compound Name5-pentyl-4-propan-2-yloxybenzene-1,3-diol
PubChem CID118547749
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name5-pentyl-4-propan-2-yloxybenzene-1,3-diol
SMILESCCCCCc1cc(O)cc(O)c1OC(C)C
InChIInChI=1S/C14H22O3/c1-4-5-6-7-11-8-12(15)9-13(16)14(11)17-10(2)3/h8-10,15-16H,4-7H2,1-3H3
InChIKeyLZLYFXPTEPERHL-UHFFFAOYSA-N
XLogP3.62
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-heptadecyl-4-methylbenzene-1,3-diol
CID 123730698
2,6-di(tridecyl)benzene-1,4-diol
CID 19033571
2,6-di(undecyl)benzene-1,4-diol
CID 139946395
4-chloro-3,5-diheptylphenol
CID 67689522
methyl 2-heptyl-4,6-dihydroxybenzoate
CID 14581930
8-(2,4-dihydroxy-6-pentylphenoxy)-6-hydroxy-3-pentyl-1H-quinolin-2-one
CID 129247224
4-tricosylbenzene-1,3-diol
CID 101133990
2-tridecylbenzene-1,4-diol
CID 19033717
4,5-didecylbenzene-1,2-diol
CID 15667809
sodium 2-dodecylbenzene-1,4-diol
CID 23460783
CID 70568956
CID 70568956
CID 70369806
CID 70369806

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-4-propan-2-yloxybenzene-1,3-diol?
The IUPAC name of 5-pentyl-4-propan-2-yloxybenzene-1,3-diol (CID 118547749) is 5-pentyl-4-propan-2-yloxybenzene-1,3-diol.
What is the SMILES notation for 5-pentyl-4-propan-2-yloxybenzene-1,3-diol?
The canonical SMILES for 5-pentyl-4-propan-2-yloxybenzene-1,3-diol is CCCCCc1cc(O)cc(O)c1OC(C)C.
What is the InChIKey of 5-pentyl-4-propan-2-yloxybenzene-1,3-diol?
The InChIKey is LZLYFXPTEPERHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-4-5-6-7-11-8-12(15)9-13(16)14(11)17-10(2)3/h8-10,15-16H,4-7H2,1-3H3.
What are the key properties of 5-pentyl-4-propan-2-yloxybenzene-1,3-diol?
5-pentyl-4-propan-2-yloxybenzene-1,3-diol has a molecular weight of 238.33 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-4-propan-2-yloxybenzene-1,3-diol is sourced from PubChem (CID 118547749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).