(1,2-dimethyl-3-phenylmethoxycyclopropyl)oxymethylbenzene

C19H22O2 — CID 90999367

IUPAC(1,2-dimethyl-3-phenylmethoxycyclopropyl)oxymethylbenzene
SMILESCC1C(OCc2ccccc2)C1(C)OCc1ccccc1
InChIInChI=1S/C19H22O2/c1-15-18(20-13-16-9-5-3-6-10-16)19(15,2)21-14-17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3
InChIKeyYBXKBDLKGPXJBD-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.20
Rot. Bonds6

About (1,2-dimethyl-3-phenylmethoxycyclopropyl)oxymethylbenzene

(1,2-dimethyl-3-phenylmethoxycyclopropyl)oxymethylbenzene (PubChem CID 90999367) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (1,2-dimethyl-3-phenylmethoxycyclopropyl)oxymethylbenzene.

Molecular Properties

Compound Name(1,2-dimethyl-3-phenylmethoxycyclopropyl)oxymethylbenzene
PubChem CID90999367
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(1,2-dimethyl-3-phenylmethoxycyclopropyl)oxymethylbenzene
SMILESCC1C(OCc2ccccc2)C1(C)OCc1ccccc1
InChIInChI=1S/C19H22O2/c1-15-18(20-13-16-9-5-3-6-10-16)19(15,2)21-14-17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3
InChIKeyYBXKBDLKGPXJBD-UHFFFAOYSA-N
XLogP4.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S,4R,5R)-2,3-dimethyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 58759413
(2S,3R,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 118108846
(4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 163445838
(2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene
CID 121352123
(2R,3R,5R,6S)-1-methyl-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-ol
CID 102432631
[(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene
CID 58078794
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
[(1R,2R)-2-methyl-2-phenylcyclopropyl]oxymethylbenzene
CID 100970284
2-methyl-1-phenyl-3-phenylmethoxycyclobutan-1-ol
CID 172787553
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
(2S,3R,4R)-2,4-dimethyl-3,4-bis(phenylmethoxy)-6-phenylsulfanyloxane
CID 11316480
(3R,4S,5R)-5-ethyl-4,5-dimethyl-3-phenylmethoxyoxolan-2-one
CID 118068857

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethyl-3-phenylmethoxycyclopropyl)oxymethylbenzene?
The IUPAC name of (1,2-dimethyl-3-phenylmethoxycyclopropyl)oxymethylbenzene (CID 90999367) is (1,2-dimethyl-3-phenylmethoxycyclopropyl)oxymethylbenzene.
What is the SMILES notation for (1,2-dimethyl-3-phenylmethoxycyclopropyl)oxymethylbenzene?
The canonical SMILES for (1,2-dimethyl-3-phenylmethoxycyclopropyl)oxymethylbenzene is CC1C(OCc2ccccc2)C1(C)OCc1ccccc1.
What is the InChIKey of (1,2-dimethyl-3-phenylmethoxycyclopropyl)oxymethylbenzene?
The InChIKey is YBXKBDLKGPXJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-15-18(20-13-16-9-5-3-6-10-16)19(15,2)21-14-17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3.
What are the key properties of (1,2-dimethyl-3-phenylmethoxycyclopropyl)oxymethylbenzene?
(1,2-dimethyl-3-phenylmethoxycyclopropyl)oxymethylbenzene has a molecular weight of 282.38 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethyl-3-phenylmethoxycyclopropyl)oxymethylbenzene is sourced from PubChem (CID 90999367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).