5,5-ditert-butyl-3-methoxy-7,8-dihydro-6H-naphthalen-2-ol

C19H30O2 — CID 59818056

IUPAC5,5-ditert-butyl-3-methoxy-7,8-dihydro-6H-naphthalen-2-ol
SMILESCOc1cc2c(cc1O)CCCC2(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H30O2/c1-17(2,3)19(18(4,5)6)10-8-9-13-11-15(20)16(21-7)12-14(13)19/h11-12,20H,8-10H2,1-7H3
InChIKeyNGEBSNNURPTYFK-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.07
Rot. Bonds1

About 5,5-ditert-butyl-3-methoxy-7,8-dihydro-6H-naphthalen-2-ol

5,5-ditert-butyl-3-methoxy-7,8-dihydro-6H-naphthalen-2-ol (PubChem CID 59818056) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 5,5-ditert-butyl-3-methoxy-7,8-dihydro-6H-naphthalen-2-ol.

Molecular Properties

Compound Name5,5-ditert-butyl-3-methoxy-7,8-dihydro-6H-naphthalen-2-ol
PubChem CID59818056
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name5,5-ditert-butyl-3-methoxy-7,8-dihydro-6H-naphthalen-2-ol
SMILESCOc1cc2c(cc1O)CCCC2(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H30O2/c1-17(2,3)19(18(4,5)6)10-8-9-13-11-15(20)16(21-7)12-14(13)19/h11-12,20H,8-10H2,1-7H3
InChIKeyNGEBSNNURPTYFK-UHFFFAOYSA-N
XLogP5.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Eugenol
CID 3314
Isoeugenol
CID 853433
2-Methoxyestradiol
CID 66414
(-)-Secoisolariciresinol
CID 65373
4-Vinylguaiacol
CID 332
2-Methoxy-4-Methylphenol
CID 7144
4-Propylguaiacol
CID 17739
2-Methoxyestrone
CID 440624
4-Ethylguaiacol
CID 62465
cis-Isoeugenol
CID 1549041
Dihydroconiferyl alcohol
CID 16822
(+)-Isolariciresinol
CID 160521

Frequently Asked Questions

What is the IUPAC name of 5,5-ditert-butyl-3-methoxy-7,8-dihydro-6H-naphthalen-2-ol?
The IUPAC name of 5,5-ditert-butyl-3-methoxy-7,8-dihydro-6H-naphthalen-2-ol (CID 59818056) is 5,5-ditert-butyl-3-methoxy-7,8-dihydro-6H-naphthalen-2-ol.
What is the SMILES notation for 5,5-ditert-butyl-3-methoxy-7,8-dihydro-6H-naphthalen-2-ol?
The canonical SMILES for 5,5-ditert-butyl-3-methoxy-7,8-dihydro-6H-naphthalen-2-ol is COc1cc2c(cc1O)CCCC2(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 5,5-ditert-butyl-3-methoxy-7,8-dihydro-6H-naphthalen-2-ol?
The InChIKey is NGEBSNNURPTYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-17(2,3)19(18(4,5)6)10-8-9-13-11-15(20)16(21-7)12-14(13)19/h11-12,20H,8-10H2,1-7H3.
What are the key properties of 5,5-ditert-butyl-3-methoxy-7,8-dihydro-6H-naphthalen-2-ol?
5,5-ditert-butyl-3-methoxy-7,8-dihydro-6H-naphthalen-2-ol has a molecular weight of 290.45 g/mol, XLogP of 5.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-ditert-butyl-3-methoxy-7,8-dihydro-6H-naphthalen-2-ol is sourced from PubChem (CID 59818056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).