4-chloro-5-methyl-2-octan-2-ylphenol

C15H23ClO — CID 15788408

IUPAC4-chloro-5-methyl-2-octan-2-ylphenol
SMILESCCCCCCC(C)c1cc(Cl)c(C)cc1O
InChIInChI=1S/C15H23ClO/c1-4-5-6-7-8-11(2)13-10-14(16)12(3)9-15(13)17/h9-11,17H,4-8H2,1-3H3
InChIKeyJPQXQTCNMSTQQH-UHFFFAOYSA-N
MW254.80 g/mol
LogP5.43
Rot. Bonds6

About 4-chloro-5-methyl-2-octan-2-ylphenol

4-chloro-5-methyl-2-octan-2-ylphenol (PubChem CID 15788408) has the molecular formula C15H23ClO and a molecular weight of 254.80 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-octan-2-ylphenol.

Molecular Properties

Compound Name4-chloro-5-methyl-2-octan-2-ylphenol
PubChem CID15788408
Molecular FormulaC15H23ClO
Molecular Weight254.80 g/mol
Exact Mass254.14
IUPAC Name4-chloro-5-methyl-2-octan-2-ylphenol
SMILESCCCCCCC(C)c1cc(Cl)c(C)cc1O
InChIInChI=1S/C15H23ClO/c1-4-5-6-7-8-11(2)13-10-14(16)12(3)9-15(13)17/h9-11,17H,4-8H2,1-3H3
InChIKeyJPQXQTCNMSTQQH-UHFFFAOYSA-N
XLogP5.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.80
LogP ≤ 55.43
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

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2-chloro-5-tetradecan-5-ylbenzene-1,4-diol
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2-chloro-6-hexan-2-yl-4-methylphenol
CID 71385576
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2-[(1R)-1-aminoethyl]-4-chloro-5-methylphenol;hydrochloride
CID 175670800
3-undecan-2-ylbenzene-1,2-diol
CID 139758320
2,6-di(hexadecan-2-yl)-4-propylphenol
CID 21499301
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CID 21499273
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1-methyl-2-tetradecan-2-ylbenzene
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-octan-2-ylphenol?
The IUPAC name of 4-chloro-5-methyl-2-octan-2-ylphenol (CID 15788408) is 4-chloro-5-methyl-2-octan-2-ylphenol.
What is the SMILES notation for 4-chloro-5-methyl-2-octan-2-ylphenol?
The canonical SMILES for 4-chloro-5-methyl-2-octan-2-ylphenol is CCCCCCC(C)c1cc(Cl)c(C)cc1O.
What is the InChIKey of 4-chloro-5-methyl-2-octan-2-ylphenol?
The InChIKey is JPQXQTCNMSTQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO/c1-4-5-6-7-8-11(2)13-10-14(16)12(3)9-15(13)17/h9-11,17H,4-8H2,1-3H3.
What are the key properties of 4-chloro-5-methyl-2-octan-2-ylphenol?
4-chloro-5-methyl-2-octan-2-ylphenol has a molecular weight of 254.80 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-octan-2-ylphenol is sourced from PubChem (CID 15788408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).