1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,7-diol

C15H22O2 — CID 163409612

IUPAC1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,7-diol
SMILESCc1cc2c(cc1O)C(C)C(O)CC2C(C)C
InChIInChI=1S/C15H22O2/c1-8(2)11-6-15(17)10(4)12-7-14(16)9(3)5-13(11)12/h5,7-8,10-11,15-17H,6H2,1-4H3
InChIKeyFZFMQBIRFOBRTD-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.31
Rot. Bonds1

About 1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,7-diol

1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,7-diol (PubChem CID 163409612) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,7-diol.

Molecular Properties

Compound Name1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,7-diol
PubChem CID163409612
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,7-diol
SMILESCc1cc2c(cc1O)C(C)C(O)CC2C(C)C
InChIInChI=1S/C15H22O2/c1-8(2)11-6-15(17)10(4)12-7-14(16)9(3)5-13(11)12/h5,7-8,10-11,15-17H,6H2,1-4H3
InChIKeyFZFMQBIRFOBRTD-UHFFFAOYSA-N
XLogP3.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5R,8S)-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 13368072
7-hydroxy-1,6-dimethyl-4-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one
CID 131753002
(5S,8R)-8-(hydroxymethyl)-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 14287062
(2S,3R,4S,5S,6R)-2-[[(1S,2S,4S)-2,7-dihydroxy-1,6-dimethyl-4-propan-2-yl-3,4-dihydro-2H-naphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 102316306
(1R,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol
CID 91647488
(1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol
CID 12927411
(6S)-6-[(1R,4S)-6-hydroxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylhept-1-en-3-one
CID 25215560
1,6-dimethyl-2,3-dihydro-1H-inden-5-ol
CID 71371609
(5R,8S)-2-[(5S,8R)-4-hydroxy-2,5-dimethyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl]-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-ol
CID 162879692
4-chloro-5-cyclopropyl-2-methylphenol
CID 118091954
4-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one
CID 525916
2-cycloheptyl-5-methylbenzene-1,4-diol
CID 59639034

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,7-diol?
The IUPAC name of 1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,7-diol (CID 163409612) is 1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,7-diol.
What is the SMILES notation for 1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,7-diol?
The canonical SMILES for 1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,7-diol is Cc1cc2c(cc1O)C(C)C(O)CC2C(C)C.
What is the InChIKey of 1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,7-diol?
The InChIKey is FZFMQBIRFOBRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-8(2)11-6-15(17)10(4)12-7-14(16)9(3)5-13(11)12/h5,7-8,10-11,15-17H,6H2,1-4H3.
What are the key properties of 1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,7-diol?
1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,7-diol has a molecular weight of 234.34 g/mol, XLogP of 3.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,7-diol is sourced from PubChem (CID 163409612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).