6-(3-methylpentan-3-yl)naphthalen-2-ol

C16H20O — CID 172584757

IUPAC6-(3-methylpentan-3-yl)naphthalen-2-ol
SMILESCCC(C)(CC)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C16H20O/c1-4-16(3,5-2)14-8-6-13-11-15(17)9-7-12(13)10-14/h6-11,17H,4-5H2,1-3H3
InChIKeyCGHGQYVQTRLGMG-UHFFFAOYSA-N
MW228.34 g/mol
LogP4.62
Rot. Bonds3

About 6-(3-methylpentan-3-yl)naphthalen-2-ol

6-(3-methylpentan-3-yl)naphthalen-2-ol (PubChem CID 172584757) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 6-(3-methylpentan-3-yl)naphthalen-2-ol.

Molecular Properties

Compound Name6-(3-methylpentan-3-yl)naphthalen-2-ol
PubChem CID172584757
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name6-(3-methylpentan-3-yl)naphthalen-2-ol
SMILESCCC(C)(CC)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C16H20O/c1-4-16(3,5-2)14-8-6-13-11-15(17)9-7-12(13)10-14/h6-11,17H,4-5H2,1-3H3
InChIKeyCGHGQYVQTRLGMG-UHFFFAOYSA-N
XLogP4.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(2,3,3-trimethylpentan-2-yl)naphthalen-2-ol
CID 175557126
6-(3-methylpentan-3-yl)-1-propan-2-ylnaphthalen-2-ol
CID 22600556
2-tert-butyl-6-methoxynaphthalene;6-tert-butylnaphthalen-2-ol
CID 159191921
7-(2,3-dimethylbutan-2-yl)naphthalen-2-ol
CID 130432101
2-[2-methyl-1-(2-methyl-2-naphthalen-2-ylbutoxy)butan-2-yl]naphthalene
CID 57148358
2,6-dimethyl-4-(2-methylbutan-2-yl)phenol;6-(2-methylbutan-2-yl)anthracen-2-ol;6-(2-methylbutan-2-yl)naphthalene-2,3-diol;6-(2-methylbutan-2-yl)naphthalen-2-ol;2-methyl-4-(2-methylbutan-2-yl)phenol
CID 161373034
3-methylpentan-3-yl 2-(6-hydroxynaphthalen-2-yl)acetate
CID 143448476
ethane;4-[(2S)-2-(4-methoxyphenyl)-2-methylbutyl]-3-sulfanylphenol
CID 142068388
sodium;hydride;naphthalene-2,6-diol
CID 174639769
4-[2-(4-methoxyphenyl)butan-2-yl]phenol
CID 57308830
2-(3-methylpentan-3-yl)triphenylene
CID 143326893
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpentan-3-yl)naphthalen-2-ol?
The IUPAC name of 6-(3-methylpentan-3-yl)naphthalen-2-ol (CID 172584757) is 6-(3-methylpentan-3-yl)naphthalen-2-ol.
What is the SMILES notation for 6-(3-methylpentan-3-yl)naphthalen-2-ol?
The canonical SMILES for 6-(3-methylpentan-3-yl)naphthalen-2-ol is CCC(C)(CC)c1ccc2cc(O)ccc2c1.
What is the InChIKey of 6-(3-methylpentan-3-yl)naphthalen-2-ol?
The InChIKey is CGHGQYVQTRLGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-4-16(3,5-2)14-8-6-13-11-15(17)9-7-12(13)10-14/h6-11,17H,4-5H2,1-3H3.
What are the key properties of 6-(3-methylpentan-3-yl)naphthalen-2-ol?
6-(3-methylpentan-3-yl)naphthalen-2-ol has a molecular weight of 228.34 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpentan-3-yl)naphthalen-2-ol is sourced from PubChem (CID 172584757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).