4-(4,4-dimethyl-5-naphthalen-2-ylpentyl)-2-methoxyphenol

C24H28O2 — CID 90885816

IUPAC4-(4,4-dimethyl-5-naphthalen-2-ylpentyl)-2-methoxyphenol
SMILESCOc1cc(CCCC(C)(C)Cc2ccc3ccccc3c2)ccc1O
InChIInChI=1S/C24H28O2/c1-24(2,14-6-7-18-11-13-22(25)23(16-18)26-3)17-19-10-12-20-8-4-5-9-21(20)15-19/h4-5,8-13,15-16,25H,6-7,14,17H2,1-3H3
InChIKeyKPNMQSWIXMVSFH-UHFFFAOYSA-N
MW348.49 g/mol
LogP6.15
Rot. Bonds7

About 4-(4,4-dimethyl-5-naphthalen-2-ylpentyl)-2-methoxyphenol

4-(4,4-dimethyl-5-naphthalen-2-ylpentyl)-2-methoxyphenol (PubChem CID 90885816) has the molecular formula C24H28O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-(4,4-dimethyl-5-naphthalen-2-ylpentyl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(4,4-dimethyl-5-naphthalen-2-ylpentyl)-2-methoxyphenol
PubChem CID90885816
Molecular FormulaC24H28O2
Molecular Weight348.49 g/mol
Exact Mass348.21
IUPAC Name4-(4,4-dimethyl-5-naphthalen-2-ylpentyl)-2-methoxyphenol
SMILESCOc1cc(CCCC(C)(C)Cc2ccc3ccccc3c2)ccc1O
InChIInChI=1S/C24H28O2/c1-24(2,14-6-7-18-11-13-22(25)23(16-18)26-3)17-19-10-12-20-8-4-5-9-21(20)15-19/h4-5,8-13,15-16,25H,6-7,14,17H2,1-3H3
InChIKeyKPNMQSWIXMVSFH-UHFFFAOYSA-N
XLogP6.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3,4,5-trimethoxyphenyl)propyl]naphthalene
CID 44609839
ethane;2-methoxy-4-propylphenol
CID 144852330
2,2-dimethyl-3-naphthalen-2-ylpropan-1-amine;hydrochloride
CID 122240080
4-(3-amino-2-hydroxy-2-methylpropyl)-2-methoxyphenol
CID 82023643
4-(4-hydroxy-3-methoxyphenyl)butanenitrile
CID 53434569
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014
2-(4,4,4-trifluorobutyl)naphthalene
CID 91307122
2-methoxy-4-(2-methyl-2-piperazin-1-ylpropyl)phenol
CID 116987601
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
1,7-bis(4-hydroxy-3-methoxyphenyl)-4,4-dimethylheptane-3,5-diol
CID 163420206
4-[3-(2-hydroxyethoxy)propyl]-2-methoxyphenol
CID 11356573
1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one
CID 71334151

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethyl-5-naphthalen-2-ylpentyl)-2-methoxyphenol?
The IUPAC name of 4-(4,4-dimethyl-5-naphthalen-2-ylpentyl)-2-methoxyphenol (CID 90885816) is 4-(4,4-dimethyl-5-naphthalen-2-ylpentyl)-2-methoxyphenol.
What is the SMILES notation for 4-(4,4-dimethyl-5-naphthalen-2-ylpentyl)-2-methoxyphenol?
The canonical SMILES for 4-(4,4-dimethyl-5-naphthalen-2-ylpentyl)-2-methoxyphenol is COc1cc(CCCC(C)(C)Cc2ccc3ccccc3c2)ccc1O.
What is the InChIKey of 4-(4,4-dimethyl-5-naphthalen-2-ylpentyl)-2-methoxyphenol?
The InChIKey is KPNMQSWIXMVSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O2/c1-24(2,14-6-7-18-11-13-22(25)23(16-18)26-3)17-19-10-12-20-8-4-5-9-21(20)15-19/h4-5,8-13,15-16,25H,6-7,14,17H2,1-3H3.
What are the key properties of 4-(4,4-dimethyl-5-naphthalen-2-ylpentyl)-2-methoxyphenol?
4-(4,4-dimethyl-5-naphthalen-2-ylpentyl)-2-methoxyphenol has a molecular weight of 348.49 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethyl-5-naphthalen-2-ylpentyl)-2-methoxyphenol is sourced from PubChem (CID 90885816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).