ethane;2,2,3-trimethyl-3,4-dihydrochromen-4-ol

C14H22O2 — CID 90742078

IUPACethane;2,2,3-trimethyl-3,4-dihydrochromen-4-ol
SMILESCC.CC1C(O)c2ccccc2OC1(C)C
InChIInChI=1S/C12H16O2.C2H6/c1-8-11(13)9-6-4-5-7-10(9)14-12(8,2)3;1-2/h4-8,11,13H,1-3H3;1-2H3
InChIKeyQJEPNPBMQPROOQ-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.55
Rot. Bonds

About ethane;2,2,3-trimethyl-3,4-dihydrochromen-4-ol

ethane;2,2,3-trimethyl-3,4-dihydrochromen-4-ol (PubChem CID 90742078) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is ethane;2,2,3-trimethyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Nameethane;2,2,3-trimethyl-3,4-dihydrochromen-4-ol
PubChem CID90742078
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Nameethane;2,2,3-trimethyl-3,4-dihydrochromen-4-ol
SMILESCC.CC1C(O)c2ccccc2OC1(C)C
InChIInChI=1S/C12H16O2.C2H6/c1-8-11(13)9-6-4-5-7-10(9)14-12(8,2)3;1-2/h4-8,11,13H,1-3H3;1-2H3
InChIKeyQJEPNPBMQPROOQ-UHFFFAOYSA-N
XLogP3.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-4-(dimethylamino)-2,2-dimethyl-3,4-dihydrochromen-3-ol;hydrochloride
CID 70620580
(3S,4R)-4-anilino-2,2-dimethyl-3,4-dihydrochromen-3-ol
CID 134962295
2-[(4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)-methylamino]acetic acid
CID 82187158
3-(azepan-1-yl)-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 82187151
(3S,4R)-4-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol
CID 134968733
(3S,4R)-4-ethoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol
CID 177434477
2,2-dimethyl-3-morpholin-4-yl-3,4-dihydrochromen-4-ol
CID 82187161
N-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701421
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]propan-1-ol
CID 106700871
2-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]cyclopentan-1-ol
CID 106701232
2,2-dimethyl-3-(4-propan-2-ylphenyl)-3H-1-benzofuran
CID 23113833
6-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]hexan-1-ol
CID 107849705

Frequently Asked Questions

What is the IUPAC name of ethane;2,2,3-trimethyl-3,4-dihydrochromen-4-ol?
The IUPAC name of ethane;2,2,3-trimethyl-3,4-dihydrochromen-4-ol (CID 90742078) is ethane;2,2,3-trimethyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for ethane;2,2,3-trimethyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for ethane;2,2,3-trimethyl-3,4-dihydrochromen-4-ol is CC.CC1C(O)c2ccccc2OC1(C)C.
What is the InChIKey of ethane;2,2,3-trimethyl-3,4-dihydrochromen-4-ol?
The InChIKey is QJEPNPBMQPROOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2.C2H6/c1-8-11(13)9-6-4-5-7-10(9)14-12(8,2)3;1-2/h4-8,11,13H,1-3H3;1-2H3.
What are the key properties of ethane;2,2,3-trimethyl-3,4-dihydrochromen-4-ol?
ethane;2,2,3-trimethyl-3,4-dihydrochromen-4-ol has a molecular weight of 222.33 g/mol, XLogP of 3.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,3-trimethyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 90742078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).