(1R,2R)-2-methyl-1-(2-methylphenoxy)-3,4-dihydro-1H-naphthalen-2-ol

C18H20O2 — CID 71100005

IUPAC(1R,2R)-2-methyl-1-(2-methylphenoxy)-3,4-dihydro-1H-naphthalen-2-ol
SMILESCc1ccccc1O[C@@H]1c2ccccc2CC[C@@]1(C)O
InChIInChI=1S/C18H20O2/c1-13-7-3-6-10-16(13)20-17-15-9-5-4-8-14(15)11-12-18(17,2)19/h3-10,17,19H,11-12H2,1-2H3/t17-,18-/m1/s1
InChIKeyFDHOALAXDKEFHU-QZTJIDSGSA-N
MW268.36 g/mol
LogP3.81
Rot. Bonds2

About (1R,2R)-2-methyl-1-(2-methylphenoxy)-3,4-dihydro-1H-naphthalen-2-ol

(1R,2R)-2-methyl-1-(2-methylphenoxy)-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 71100005) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (1R,2R)-2-methyl-1-(2-methylphenoxy)-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name(1R,2R)-2-methyl-1-(2-methylphenoxy)-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID71100005
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(1R,2R)-2-methyl-1-(2-methylphenoxy)-3,4-dihydro-1H-naphthalen-2-ol
SMILESCc1ccccc1O[C@@H]1c2ccccc2CC[C@@]1(C)O
InChIInChI=1S/C18H20O2/c1-13-7-3-6-10-16(13)20-17-15-9-5-4-8-14(15)11-12-18(17,2)19/h3-10,17,19H,11-12H2,1-2H3/t17-,18-/m1/s1
InChIKeyFDHOALAXDKEFHU-QZTJIDSGSA-N
XLogP3.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenoxy)-2,3-dihydro-1H-indene
CID 57123599
(1S,2R)-1-(2-methylphenoxy)spiro[1,3-dihydroindene-2,2'-morpholine]
CID 58767585
(1R,2S)-1-(2-methylphenoxy)spiro[1,3-dihydroindene-2,2'-morpholine]
CID 58767621
2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-ol
CID 79847908
(2S,4R)-N-methyl-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 24969453
ethane;3,3,4-trimethyl-2,4-dihydro-1H-naphthalene
CID 144627075
ethanol;[1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine
CID 143367533
1-(2-ethylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol
CID 69234284
1-(2,2-difluorocyclopropyl)oxy-2-methylbenzene
CID 121234773
N-methyl-1-[(3S,4R)-4-(2-methylphenoxy)-3,4-dihydro-1H-isochromen-3-yl]methanamine
CID 44587484
1-(3-chloro-2,2-dimethylcyclobutyl)oxy-2-methylbenzene
CID 66344846
2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-amine
CID 79836746

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-methyl-1-(2-methylphenoxy)-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of (1R,2R)-2-methyl-1-(2-methylphenoxy)-3,4-dihydro-1H-naphthalen-2-ol (CID 71100005) is (1R,2R)-2-methyl-1-(2-methylphenoxy)-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for (1R,2R)-2-methyl-1-(2-methylphenoxy)-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for (1R,2R)-2-methyl-1-(2-methylphenoxy)-3,4-dihydro-1H-naphthalen-2-ol is Cc1ccccc1O[C@@H]1c2ccccc2CC[C@@]1(C)O.
What is the InChIKey of (1R,2R)-2-methyl-1-(2-methylphenoxy)-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is FDHOALAXDKEFHU-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H20O2/c1-13-7-3-6-10-16(13)20-17-15-9-5-4-8-14(15)11-12-18(17,2)19/h3-10,17,19H,11-12H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of (1R,2R)-2-methyl-1-(2-methylphenoxy)-3,4-dihydro-1H-naphthalen-2-ol?
(1R,2R)-2-methyl-1-(2-methylphenoxy)-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 268.36 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-methyl-1-(2-methylphenoxy)-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 71100005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).