[5-(4-butylphenyl)naphthalen-1-yl]methanol

C21H22O — CID 154221033

IUPAC[5-(4-butylphenyl)naphthalen-1-yl]methanol
SMILESCCCCc1ccc(-c2cccc3c(CO)cccc23)cc1
InChIInChI=1S/C21H22O/c1-2-3-6-16-11-13-17(14-12-16)19-8-5-9-20-18(15-22)7-4-10-21(19)20/h4-5,7-14,22H,2-3,6,15H2,1H3
InChIKeyOOVMMUFOCOQUEM-UHFFFAOYSA-N
MW290.41 g/mol
LogP5.34
Rot. Bonds5

About [5-(4-butylphenyl)naphthalen-1-yl]methanol

[5-(4-butylphenyl)naphthalen-1-yl]methanol (PubChem CID 154221033) has the molecular formula C21H22O and a molecular weight of 290.41 g/mol. Its IUPAC name is [5-(4-butylphenyl)naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[5-(4-butylphenyl)naphthalen-1-yl]methanol
PubChem CID154221033
Molecular FormulaC21H22O
Molecular Weight290.41 g/mol
Exact Mass290.17
IUPAC Name[5-(4-butylphenyl)naphthalen-1-yl]methanol
SMILESCCCCc1ccc(-c2cccc3c(CO)cccc23)cc1
InChIInChI=1S/C21H22O/c1-2-3-6-16-11-13-17(14-12-16)19-8-5-9-20-18(15-22)7-4-10-21(19)20/h4-5,7-14,22H,2-3,6,15H2,1H3
InChIKeyOOVMMUFOCOQUEM-UHFFFAOYSA-N
XLogP5.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-butylphenyl)-3-(4-butylphenyl)-2-methylbenzene
CID 156826942
3-(4-pentylphenyl)benzene-1,2-diol
CID 70366115
4-(4-butylphenyl)-2-methyl-1H-inden-1-ide;zirconium
CID 142736081
1,2-dimethoxy-3-(4-pentylphenyl)benzene
CID 175313159
1-hexyl-4-(2-phenylphenyl)benzene;sulfane
CID 158588704
1-butyl-4-phenylbenzene;ethane
CID 143743409
bis(2-butyl-4-(4-propylphenyl)-1H-inden-1-ide);ethane-1,2-diol;zirconium(2+)
CID 87965673
1-butyl-2-(4-methylphenyl)benzene
CID 58626581
1-(4-butylphenyl)-4-[4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]phenyl]-2-propylbenzene
CID 158517315
4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
CID 69347655
3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819
9,21-bis(4-butylphenyl)-12,24-dithiahexacyclo[11.11.0.02,11.03,8.014,23.015,20]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene
CID 122229154

Frequently Asked Questions

What is the IUPAC name of [5-(4-butylphenyl)naphthalen-1-yl]methanol?
The IUPAC name of [5-(4-butylphenyl)naphthalen-1-yl]methanol (CID 154221033) is [5-(4-butylphenyl)naphthalen-1-yl]methanol.
What is the SMILES notation for [5-(4-butylphenyl)naphthalen-1-yl]methanol?
The canonical SMILES for [5-(4-butylphenyl)naphthalen-1-yl]methanol is CCCCc1ccc(-c2cccc3c(CO)cccc23)cc1.
What is the InChIKey of [5-(4-butylphenyl)naphthalen-1-yl]methanol?
The InChIKey is OOVMMUFOCOQUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O/c1-2-3-6-16-11-13-17(14-12-16)19-8-5-9-20-18(15-22)7-4-10-21(19)20/h4-5,7-14,22H,2-3,6,15H2,1H3.
What are the key properties of [5-(4-butylphenyl)naphthalen-1-yl]methanol?
[5-(4-butylphenyl)naphthalen-1-yl]methanol has a molecular weight of 290.41 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-butylphenyl)naphthalen-1-yl]methanol is sourced from PubChem (CID 154221033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).