4-(10-methylundecyl)-2-prop-1-enylphenol

C21H34O — CID 54563182

IUPAC4-(10-methylundecyl)-2-prop-1-enylphenol
SMILESCC=Cc1cc(CCCCCCCCCC(C)C)ccc1O
InChIInChI=1S/C21H34O/c1-4-12-20-17-19(15-16-21(20)22)14-11-9-7-5-6-8-10-13-18(2)3/h4,12,15-18,22H,5-11,13-14H2,1-3H3
InChIKeyZRZBRHMTQRVXBU-UHFFFAOYSA-N
MW302.50 g/mol
LogP6.74
Rot. Bonds11

About 4-(10-methylundecyl)-2-prop-1-enylphenol

4-(10-methylundecyl)-2-prop-1-enylphenol (PubChem CID 54563182) has the molecular formula C21H34O and a molecular weight of 302.50 g/mol. Its IUPAC name is 4-(10-methylundecyl)-2-prop-1-enylphenol.

Molecular Properties

Compound Name4-(10-methylundecyl)-2-prop-1-enylphenol
PubChem CID54563182
Molecular FormulaC21H34O
Molecular Weight302.50 g/mol
Exact Mass302.26
IUPAC Name4-(10-methylundecyl)-2-prop-1-enylphenol
SMILESCC=Cc1cc(CCCCCCCCCC(C)C)ccc1O
InChIInChI=1S/C21H34O/c1-4-12-20-17-19(15-16-21(20)22)14-11-9-7-5-6-8-10-13-18(2)3/h4,12,15-18,22H,5-11,13-14H2,1-3H3
InChIKeyZRZBRHMTQRVXBU-UHFFFAOYSA-N
XLogP6.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.50
LogP ≤ 56.74
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-methyl-4-(6-methylheptyl)phenol
CID 154140199
2-hydroxy-5-(10-methylundecyl)benzoic acid
CID 22256247
1,4-bis(8-methylnonyl)benzene;phosphorous acid
CID 175244550
4-(6-methylheptyl)benzoic acid
CID 70349425
4-(6,10,14-trimethylpentadecyl)phenol
CID 152684433
1-(8-methylnonyl)-4-pentylbenzene
CID 158864216
1-(6-methylheptyl)-4-pentylbenzene
CID 158425503
1-(6-methylheptyl)-4-(2-methylpropyl)benzene
CID 140836779
2-[2-[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4-(3-methylbutyl)phenol
CID 137122372
4-(7-methyloctyl)benzaldehyde
CID 173431651
2-methyl-5-(4-methylpentyl)phenol
CID 163753923
2-(6-methylheptyl)benzene-1,3,5-triol
CID 22165808

Frequently Asked Questions

What is the IUPAC name of 4-(10-methylundecyl)-2-prop-1-enylphenol?
The IUPAC name of 4-(10-methylundecyl)-2-prop-1-enylphenol (CID 54563182) is 4-(10-methylundecyl)-2-prop-1-enylphenol.
What is the SMILES notation for 4-(10-methylundecyl)-2-prop-1-enylphenol?
The canonical SMILES for 4-(10-methylundecyl)-2-prop-1-enylphenol is CC=Cc1cc(CCCCCCCCCC(C)C)ccc1O.
What is the InChIKey of 4-(10-methylundecyl)-2-prop-1-enylphenol?
The InChIKey is ZRZBRHMTQRVXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O/c1-4-12-20-17-19(15-16-21(20)22)14-11-9-7-5-6-8-10-13-18(2)3/h4,12,15-18,22H,5-11,13-14H2,1-3H3.
What are the key properties of 4-(10-methylundecyl)-2-prop-1-enylphenol?
4-(10-methylundecyl)-2-prop-1-enylphenol has a molecular weight of 302.50 g/mol, XLogP of 6.74, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-methylundecyl)-2-prop-1-enylphenol is sourced from PubChem (CID 54563182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).