4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethoxy)-3-methylphenol

C18H26O2 — CID 90281584

IUPAC4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethoxy)-3-methylphenol
SMILESCc1cc(O)ccc1OCC1CCCC2CCCCC21
InChIInChI=1S/C18H26O2/c1-13-11-16(19)9-10-18(13)20-12-15-7-4-6-14-5-2-3-8-17(14)15/h9-11,14-15,17,19H,2-8,12H2,1H3
InChIKeyYSJQTBIPFYUSTK-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.69
Rot. Bonds3

About 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethoxy)-3-methylphenol

4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethoxy)-3-methylphenol (PubChem CID 90281584) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethoxy)-3-methylphenol.

Molecular Properties

Compound Name4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethoxy)-3-methylphenol
PubChem CID90281584
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethoxy)-3-methylphenol
SMILESCc1cc(O)ccc1OCC1CCCC2CCCCC21
InChIInChI=1S/C18H26O2/c1-13-11-16(19)9-10-18(13)20-12-15-7-4-6-14-5-2-3-8-17(14)15/h9-11,14-15,17,19H,2-8,12H2,1H3
InChIKeyYSJQTBIPFYUSTK-UHFFFAOYSA-N
XLogP4.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(azepan-2-ylmethoxy)-3-methylphenol
CID 84698847
5-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)ethyl]-2-methoxyphenol
CID 10308227
1-(4-hydroxy-2-methylphenoxy)propan-2-one
CID 21300949
4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene
CID 127017270
6-[(2-butan-2-ylcyclohexyl)methoxy]-2-hydroxy-3-methylbenzaldehyde
CID 144709960
4-[(E)-but-2-enoxy]-3-methylphenol
CID 131233289
4-methylphenol;tricyclo[5.2.2.02,6]undecane
CID 122164942
4-(cyclobutylmethoxy)-3-(trifluoromethyl)phenol
CID 166611039
1-cyclopentyl-2-(2-methylpropyl)cyclopentane
CID 57306943
4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenol
CID 122185342
1-(cyclohexylmethoxy)-4-ethynyl-2-methylbenzene
CID 138962091
4-(cyclobutylmethoxy)-3-methylbenzenesulfonamide
CID 65459454

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethoxy)-3-methylphenol?
The IUPAC name of 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethoxy)-3-methylphenol (CID 90281584) is 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethoxy)-3-methylphenol.
What is the SMILES notation for 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethoxy)-3-methylphenol?
The canonical SMILES for 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethoxy)-3-methylphenol is Cc1cc(O)ccc1OCC1CCCC2CCCCC21.
What is the InChIKey of 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethoxy)-3-methylphenol?
The InChIKey is YSJQTBIPFYUSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-13-11-16(19)9-10-18(13)20-12-15-7-4-6-14-5-2-3-8-17(14)15/h9-11,14-15,17,19H,2-8,12H2,1H3.
What are the key properties of 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethoxy)-3-methylphenol?
4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethoxy)-3-methylphenol has a molecular weight of 274.40 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethoxy)-3-methylphenol is sourced from PubChem (CID 90281584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).