3-(phenylmethoxymethyl)-2-propylcycloheptan-1-ol

C18H28O2 — CID 101018267

IUPAC3-(phenylmethoxymethyl)-2-propylcycloheptan-1-ol
SMILESCCCC1C(O)CCCCC1COCc1ccccc1
InChIInChI=1S/C18H28O2/c1-2-8-17-16(11-6-7-12-18(17)19)14-20-13-15-9-4-3-5-10-15/h3-5,9-10,16-19H,2,6-8,11-14H2,1H3
InChIKeyNWMFDMLRMHBIKI-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.17
Rot. Bonds6

About 3-(phenylmethoxymethyl)-2-propylcycloheptan-1-ol

3-(phenylmethoxymethyl)-2-propylcycloheptan-1-ol (PubChem CID 101018267) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-(phenylmethoxymethyl)-2-propylcycloheptan-1-ol.

Molecular Properties

Compound Name3-(phenylmethoxymethyl)-2-propylcycloheptan-1-ol
PubChem CID101018267
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name3-(phenylmethoxymethyl)-2-propylcycloheptan-1-ol
SMILESCCCC1C(O)CCCCC1COCc1ccccc1
InChIInChI=1S/C18H28O2/c1-2-8-17-16(11-6-7-12-18(17)19)14-20-13-15-9-4-3-5-10-15/h3-5,9-10,16-19H,2,6-8,11-14H2,1H3
InChIKeyNWMFDMLRMHBIKI-UHFFFAOYSA-N
XLogP4.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S,3R)-3-(phenylmethoxymethyl)-2-prop-2-enylcyclohexan-1-ol
CID 102008593
2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-ol
CID 57425831
[(1R,3R)-2,2-dibromo-3-propylcyclopropyl]methoxymethylbenzene
CID 164670390
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid
CID 86340040
[(1R,2R)-2-tert-butylcyclopropyl]methoxymethylbenzene
CID 10878630
cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 11470338
ethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 166815122
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
[(1R,2S,3R)-2-(hydroxymethyl)-3-(phenylmethoxymethyl)cyclobutyl] acetate
CID 102074208
1-phenylmethoxy-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 174511423

Frequently Asked Questions

What is the IUPAC name of 3-(phenylmethoxymethyl)-2-propylcycloheptan-1-ol?
The IUPAC name of 3-(phenylmethoxymethyl)-2-propylcycloheptan-1-ol (CID 101018267) is 3-(phenylmethoxymethyl)-2-propylcycloheptan-1-ol.
What is the SMILES notation for 3-(phenylmethoxymethyl)-2-propylcycloheptan-1-ol?
The canonical SMILES for 3-(phenylmethoxymethyl)-2-propylcycloheptan-1-ol is CCCC1C(O)CCCCC1COCc1ccccc1.
What is the InChIKey of 3-(phenylmethoxymethyl)-2-propylcycloheptan-1-ol?
The InChIKey is NWMFDMLRMHBIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-2-8-17-16(11-6-7-12-18(17)19)14-20-13-15-9-4-3-5-10-15/h3-5,9-10,16-19H,2,6-8,11-14H2,1H3.
What are the key properties of 3-(phenylmethoxymethyl)-2-propylcycloheptan-1-ol?
3-(phenylmethoxymethyl)-2-propylcycloheptan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylmethoxymethyl)-2-propylcycloheptan-1-ol is sourced from PubChem (CID 101018267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).