3-[4-(1-ethylcyclopropyl)butyl]-2-[5-(1-methylcyclopropyl)pentyl]phenol

C24H38O — CID 170142673

IUPAC3-[4-(1-ethylcyclopropyl)butyl]-2-[5-(1-methylcyclopropyl)pentyl]phenol
SMILESCCC1(CCCCc2cccc(O)c2CCCCCC2(C)CC2)CC1
InChIInChI=1S/C24H38O/c1-3-24(18-19-24)15-8-6-10-20-11-9-13-22(25)21(20)12-5-4-7-14-23(2)16-17-23/h9,11,13,25H,3-8,10,12,14-19H2,1-2H3
InChIKeyYKXKUZUGHUQQQP-UHFFFAOYSA-N
MW342.57 g/mol
LogP7.20
Rot. Bonds12

About 3-[4-(1-ethylcyclopropyl)butyl]-2-[5-(1-methylcyclopropyl)pentyl]phenol

3-[4-(1-ethylcyclopropyl)butyl]-2-[5-(1-methylcyclopropyl)pentyl]phenol (PubChem CID 170142673) has the molecular formula C24H38O and a molecular weight of 342.57 g/mol. Its IUPAC name is 3-[4-(1-ethylcyclopropyl)butyl]-2-[5-(1-methylcyclopropyl)pentyl]phenol.

Molecular Properties

Compound Name3-[4-(1-ethylcyclopropyl)butyl]-2-[5-(1-methylcyclopropyl)pentyl]phenol
PubChem CID170142673
Molecular FormulaC24H38O
Molecular Weight342.57 g/mol
Exact Mass342.29
IUPAC Name3-[4-(1-ethylcyclopropyl)butyl]-2-[5-(1-methylcyclopropyl)pentyl]phenol
SMILESCCC1(CCCCc2cccc(O)c2CCCCCC2(C)CC2)CC1
InChIInChI=1S/C24H38O/c1-3-24(18-19-24)15-8-6-10-20-11-9-13-22(25)21(20)12-5-4-7-14-23(2)16-17-23/h9,11,13,25H,3-8,10,12,14-19H2,1-2H3
InChIKeyYKXKUZUGHUQQQP-UHFFFAOYSA-N
XLogP7.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis[5-(1-methylcyclopropyl)pentyl]phenol
CID 170104000
2-[4-(1-methylcyclopropyl)butyl]-3-[5-(1-methylcyclopropyl)pentyl]phenol
CID 164594993
2-[6-(1-ethylcyclopropyl)hexyl]-3-[5-(1-methylcyclopropyl)pentyl]benzene-1,4-diol
CID 170106596
3-[4-(1-ethylcyclopropyl)butyl]-4-[5-(1-methylcyclopropyl)pentyl]benzene-1,2-diol
CID 170142679
4-[6-(1-ethylcyclopropyl)hexyl]-2-[4-(1-methylcyclopropyl)butyl]benzene-1,3-diol
CID 170105925
5-[4-(1-ethylcyclopropyl)butyl]-4-[5-(1-methylcyclopropyl)pentyl]benzene-1,2,3-triol
CID 170106750
4-[3-(1-ethylcyclopropyl)propyl]-3-[3-(1-methylcyclopropyl)propyl]benzene-1,2-diol
CID 170106681
5-[6-(1-ethylcyclopropyl)hexyl]-6-[5-(1-methylcyclopropyl)pentyl]benzene-1,2,4-triol
CID 170106618
2-[6-(1-ethylcyclopropyl)hexyl]-6-[4-(1-methylcyclopropyl)butyl]benzene-1,4-diol
CID 170105935
5-[5-(1-ethylcyclopropyl)pentyl]-3-[4-(1-methylcyclopropyl)butyl]benzene-1,2-diol
CID 170142120
2,3-di(nonadecyl)phenol
CID 151687635
3-dodecyl-2-nonylphenol;phosphorous acid
CID 71149565

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-ethylcyclopropyl)butyl]-2-[5-(1-methylcyclopropyl)pentyl]phenol?
The IUPAC name of 3-[4-(1-ethylcyclopropyl)butyl]-2-[5-(1-methylcyclopropyl)pentyl]phenol (CID 170142673) is 3-[4-(1-ethylcyclopropyl)butyl]-2-[5-(1-methylcyclopropyl)pentyl]phenol.
What is the SMILES notation for 3-[4-(1-ethylcyclopropyl)butyl]-2-[5-(1-methylcyclopropyl)pentyl]phenol?
The canonical SMILES for 3-[4-(1-ethylcyclopropyl)butyl]-2-[5-(1-methylcyclopropyl)pentyl]phenol is CCC1(CCCCc2cccc(O)c2CCCCCC2(C)CC2)CC1.
What is the InChIKey of 3-[4-(1-ethylcyclopropyl)butyl]-2-[5-(1-methylcyclopropyl)pentyl]phenol?
The InChIKey is YKXKUZUGHUQQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O/c1-3-24(18-19-24)15-8-6-10-20-11-9-13-22(25)21(20)12-5-4-7-14-23(2)16-17-23/h9,11,13,25H,3-8,10,12,14-19H2,1-2H3.
What are the key properties of 3-[4-(1-ethylcyclopropyl)butyl]-2-[5-(1-methylcyclopropyl)pentyl]phenol?
3-[4-(1-ethylcyclopropyl)butyl]-2-[5-(1-methylcyclopropyl)pentyl]phenol has a molecular weight of 342.57 g/mol, XLogP of 7.20, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-ethylcyclopropyl)butyl]-2-[5-(1-methylcyclopropyl)pentyl]phenol is sourced from PubChem (CID 170142673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).