(1S)-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-ol

C12H16O2 — CID 79837765

IUPAC(1S)-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
SMILESCOc1ccc2c(c1)[C@@H](O)CC2(C)C
InChIInChI=1S/C12H16O2/c1-12(2)7-11(13)9-6-8(14-3)4-5-10(9)12/h4-6,11,13H,7H2,1-3H3/t11-/m0/s1
InChIKeyWBUONVOKIWJCEW-NSHDSACASA-N
MW192.26 g/mol
LogP2.41
Rot. Bonds1

About (1S)-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-ol

(1S)-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-ol (PubChem CID 79837765) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (1S)-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-ol.

Molecular Properties

Compound Name(1S)-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
PubChem CID79837765
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(1S)-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
SMILESCOc1ccc2c(c1)[C@@H](O)CC2(C)C
InChIInChI=1S/C12H16O2/c1-12(2)7-11(13)9-6-8(14-3)4-5-10(9)12/h4-6,11,13H,7H2,1-3H3/t11-/m0/s1
InChIKeyWBUONVOKIWJCEW-NSHDSACASA-N
XLogP2.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-6-bromo-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837956
(1R)-6-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837861
N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
CID 79838612
(1R)-4,6-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837577
2-amino-6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-ol
CID 84623934
6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-ol
CID 10035482
(1R)-6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-ol
CID 132506381
6-methoxy-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-ol
CID 114715446
(4S)-2-cyclopropyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-ol
CID 104948836
6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-ol
CID 114715429
2-(6-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalen-2-yl)acetic acid
CID 14343895
6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 59620250

Frequently Asked Questions

What is the IUPAC name of (1S)-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-ol?
The IUPAC name of (1S)-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-ol (CID 79837765) is (1S)-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-ol.
What is the SMILES notation for (1S)-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-ol?
The canonical SMILES for (1S)-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-ol is COc1ccc2c(c1)[C@@H](O)CC2(C)C.
What is the InChIKey of (1S)-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-ol?
The InChIKey is WBUONVOKIWJCEW-NSHDSACASA-N. The full InChI is InChI=1S/C12H16O2/c1-12(2)7-11(13)9-6-8(14-3)4-5-10(9)12/h4-6,11,13H,7H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-ol?
(1S)-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-ol has a molecular weight of 192.26 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-ol is sourced from PubChem (CID 79837765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).