1-[5-(2-hydroxy-3,3-dimethylbutyl)naphthalen-1-yl]-3,3-dimethylbutan-2-ol

C22H32O2 — CID 139893720

IUPAC1-[5-(2-hydroxy-3,3-dimethylbutyl)naphthalen-1-yl]-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)Cc1cccc2c(CC(O)C(C)(C)C)cccc12
InChIInChI=1S/C22H32O2/c1-21(2,3)19(23)13-15-9-7-12-18-16(10-8-11-17(15)18)14-20(24)22(4,5)6/h7-12,19-20,23-24H,13-14H2,1-6H3
InChIKeyDYCATLSNPDTNDZ-UHFFFAOYSA-N
MW328.50 g/mol
LogP4.74
Rot. Bonds4

About 1-[5-(2-hydroxy-3,3-dimethylbutyl)naphthalen-1-yl]-3,3-dimethylbutan-2-ol

1-[5-(2-hydroxy-3,3-dimethylbutyl)naphthalen-1-yl]-3,3-dimethylbutan-2-ol (PubChem CID 139893720) has the molecular formula C22H32O2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-[5-(2-hydroxy-3,3-dimethylbutyl)naphthalen-1-yl]-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[5-(2-hydroxy-3,3-dimethylbutyl)naphthalen-1-yl]-3,3-dimethylbutan-2-ol
PubChem CID139893720
Molecular FormulaC22H32O2
Molecular Weight328.50 g/mol
Exact Mass328.24
IUPAC Name1-[5-(2-hydroxy-3,3-dimethylbutyl)naphthalen-1-yl]-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)Cc1cccc2c(CC(O)C(C)(C)C)cccc12
InChIInChI=1S/C22H32O2/c1-21(2,3)19(23)13-15-9-7-12-18-16(10-8-11-17(15)18)14-20(24)22(4,5)6/h7-12,19-20,23-24H,13-14H2,1-6H3
InChIKeyDYCATLSNPDTNDZ-UHFFFAOYSA-N
XLogP4.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-hydroxyethyl)phenyl]-3,3-dimethylbutan-2-ol
CID 102015926
[2-(2-hydroxy-3,3-dimethylbutyl)phenyl]-oxoazanium;methanol
CID 143608364
1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol
CID 62963158
(2S)-3,3-dimethyl-1-phenylbutan-2-ol
CID 12689722
3,3-dimethyl-1-phenylbutan-2-ol
CID 5051506
5,5-dimethyl-1-naphthalen-1-ylhexan-2-ol
CID 105091563
3,3-dimethyl-1-pyridin-2-ylbutan-2-ol
CID 62393585
3,3-dimethyl-1-quinazolin-4-ylbutan-2-ol
CID 63201598
3,3-dimethyl-1-(8-nitroisoquinolin-5-yl)butan-2-ol
CID 63200945
2-methyl-3-naphthalen-1-ylpropane-1,1-diol
CID 20647931
1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol
CID 62605952
1-chloro-2-naphthalen-1-ylethanol
CID 54087449

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-hydroxy-3,3-dimethylbutyl)naphthalen-1-yl]-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-[5-(2-hydroxy-3,3-dimethylbutyl)naphthalen-1-yl]-3,3-dimethylbutan-2-ol (CID 139893720) is 1-[5-(2-hydroxy-3,3-dimethylbutyl)naphthalen-1-yl]-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[5-(2-hydroxy-3,3-dimethylbutyl)naphthalen-1-yl]-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[5-(2-hydroxy-3,3-dimethylbutyl)naphthalen-1-yl]-3,3-dimethylbutan-2-ol is CC(C)(C)C(O)Cc1cccc2c(CC(O)C(C)(C)C)cccc12.
What is the InChIKey of 1-[5-(2-hydroxy-3,3-dimethylbutyl)naphthalen-1-yl]-3,3-dimethylbutan-2-ol?
The InChIKey is DYCATLSNPDTNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O2/c1-21(2,3)19(23)13-15-9-7-12-18-16(10-8-11-17(15)18)14-20(24)22(4,5)6/h7-12,19-20,23-24H,13-14H2,1-6H3.
What are the key properties of 1-[5-(2-hydroxy-3,3-dimethylbutyl)naphthalen-1-yl]-3,3-dimethylbutan-2-ol?
1-[5-(2-hydroxy-3,3-dimethylbutyl)naphthalen-1-yl]-3,3-dimethylbutan-2-ol has a molecular weight of 328.50 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-hydroxy-3,3-dimethylbutyl)naphthalen-1-yl]-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 139893720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).