2-(3,3-dimethylcyclopentyl)oxy-4-(hydroxymethyl)phenol

C14H20O3 — CID 117345058

IUPAC2-(3,3-dimethylcyclopentyl)oxy-4-(hydroxymethyl)phenol
SMILESCC1(C)CCC(Oc2cc(CO)ccc2O)C1
InChIInChI=1S/C14H20O3/c1-14(2)6-5-11(8-14)17-13-7-10(9-15)3-4-12(13)16/h3-4,7,11,15-16H,5-6,8-9H2,1-2H3
InChIKeySICTXAUSHWKFHU-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.84
Rot. Bonds3

About 2-(3,3-dimethylcyclopentyl)oxy-4-(hydroxymethyl)phenol

2-(3,3-dimethylcyclopentyl)oxy-4-(hydroxymethyl)phenol (PubChem CID 117345058) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(3,3-dimethylcyclopentyl)oxy-4-(hydroxymethyl)phenol.

Molecular Properties

Compound Name2-(3,3-dimethylcyclopentyl)oxy-4-(hydroxymethyl)phenol
PubChem CID117345058
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-(3,3-dimethylcyclopentyl)oxy-4-(hydroxymethyl)phenol
SMILESCC1(C)CCC(Oc2cc(CO)ccc2O)C1
InChIInChI=1S/C14H20O3/c1-14(2)6-5-11(8-14)17-13-7-10(9-15)3-4-12(13)16/h3-4,7,11,15-16H,5-6,8-9H2,1-2H3
InChIKeySICTXAUSHWKFHU-UHFFFAOYSA-N
XLogP2.84
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-aminoethyl)-2-(3,3-dimethylcyclopentyl)oxyphenol
CID 117377486
2-amino-2-[3-(3,3-dimethylcyclopentyl)oxy-4-hydroxyphenyl]acetic acid
CID 117447876
4-(5-amino-1-methylpyrazol-3-yl)-2-(3,3-dimethylcyclopentyl)oxyphenol
CID 136966419
[4-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxy-3-methoxyphenyl]methanol
CID 107745025
(3,3-dimethylcyclopentyl) 4-hydroxy-3-methoxybenzoate
CID 70901489
[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methoxyphenyl]methanol
CID 79898778
[3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-methoxyphenyl]methanol
CID 79898781
4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane
CID 71151145
4-(hydroxymethyl)-2-methoxyphenol;1-propoxypropane
CID 66600810
[3-methoxy-4-(thian-4-yloxy)phenyl]methanol
CID 117389372
4-(hydroxymethyl)-2-methoxyphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 175343133
[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]methanol
CID 64747530

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylcyclopentyl)oxy-4-(hydroxymethyl)phenol?
The IUPAC name of 2-(3,3-dimethylcyclopentyl)oxy-4-(hydroxymethyl)phenol (CID 117345058) is 2-(3,3-dimethylcyclopentyl)oxy-4-(hydroxymethyl)phenol.
What is the SMILES notation for 2-(3,3-dimethylcyclopentyl)oxy-4-(hydroxymethyl)phenol?
The canonical SMILES for 2-(3,3-dimethylcyclopentyl)oxy-4-(hydroxymethyl)phenol is CC1(C)CCC(Oc2cc(CO)ccc2O)C1.
What is the InChIKey of 2-(3,3-dimethylcyclopentyl)oxy-4-(hydroxymethyl)phenol?
The InChIKey is SICTXAUSHWKFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-14(2)6-5-11(8-14)17-13-7-10(9-15)3-4-12(13)16/h3-4,7,11,15-16H,5-6,8-9H2,1-2H3.
What are the key properties of 2-(3,3-dimethylcyclopentyl)oxy-4-(hydroxymethyl)phenol?
2-(3,3-dimethylcyclopentyl)oxy-4-(hydroxymethyl)phenol has a molecular weight of 236.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylcyclopentyl)oxy-4-(hydroxymethyl)phenol is sourced from PubChem (CID 117345058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).