4-naphthalen-1-ylheptan-4-ol

C17H22O — CID 114866255

IUPAC4-naphthalen-1-ylheptan-4-ol
SMILESCCCC(O)(CCC)c1cccc2ccccc12
InChIInChI=1S/C17H22O/c1-3-12-17(18,13-4-2)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,18H,3-4,12-13H2,1-2H3
InChIKeyDAMPCZDONAKVGJ-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.63
Rot. Bonds5

About 4-naphthalen-1-ylheptan-4-ol

4-naphthalen-1-ylheptan-4-ol (PubChem CID 114866255) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-naphthalen-1-ylheptan-4-ol.

Molecular Properties

Compound Name4-naphthalen-1-ylheptan-4-ol
PubChem CID114866255
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name4-naphthalen-1-ylheptan-4-ol
SMILESCCCC(O)(CCC)c1cccc2ccccc12
InChIInChI=1S/C17H22O/c1-3-12-17(18,13-4-2)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,18H,3-4,12-13H2,1-2H3
InChIKeyDAMPCZDONAKVGJ-UHFFFAOYSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-naphthalen-1-yloctan-4-yl)naphthalene
CID 174772788
2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol
CID 140553457
4-(2-ethoxyphenyl)heptan-4-ol
CID 114866097
2-isoquinolin-4-ylpentan-2-ol
CID 80557388
4-(1,1-dinaphthalen-1-ylbutyl)aniline
CID 141141180
1-(2-methylpentan-2-yl)phenanthrene
CID 154130631
4-[2-(trifluoromethoxy)phenyl]heptan-4-ol
CID 114866167
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
1,1,4,4-tetranaphthalen-1-ylbutane-1,2,3,4-tetrol
CID 23002853
3-methyl-2-naphthalen-1-ylbutan-2-ol
CID 11830817
azane;4-(2,3-dipropylphenyl)heptan-4-ol
CID 172695621
3-chloro-1-naphthalen-1-yl-1-phenylpropan-1-ol
CID 116696421

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-ylheptan-4-ol?
The IUPAC name of 4-naphthalen-1-ylheptan-4-ol (CID 114866255) is 4-naphthalen-1-ylheptan-4-ol.
What is the SMILES notation for 4-naphthalen-1-ylheptan-4-ol?
The canonical SMILES for 4-naphthalen-1-ylheptan-4-ol is CCCC(O)(CCC)c1cccc2ccccc12.
What is the InChIKey of 4-naphthalen-1-ylheptan-4-ol?
The InChIKey is DAMPCZDONAKVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-3-12-17(18,13-4-2)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,18H,3-4,12-13H2,1-2H3.
What are the key properties of 4-naphthalen-1-ylheptan-4-ol?
4-naphthalen-1-ylheptan-4-ol has a molecular weight of 242.36 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-ylheptan-4-ol is sourced from PubChem (CID 114866255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).