cis-(1R,2S)-1-methoxy-2-phenylmethoxycycloheptane;ethylbenzene

C23H32O2 — CID 142842449

IUPACcis-(1R,2S)-1-methoxy-2-phenylmethoxycycloheptane;ethylbenzene
SMILESCCc1ccccc1.CO[C@@H]1CCCCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C15H22O2.C8H10/c1-16-14-10-6-3-7-11-15(14)17-12-13-8-4-2-5-9-13;1-2-8-6-4-3-5-7-8/h2,4-5,8-9,14-15H,3,6-7,10-12H2,1H3;3-7H,2H2,1H3/t14-,15+;/m1./s1
InChIKeyISGWSWURWRDASR-LIOBNPLQSA-N
MW340.51 g/mol
LogP5.80
Rot. Bonds5

About cis-(1R,2S)-1-methoxy-2-phenylmethoxycycloheptane;ethylbenzene

cis-(1R,2S)-1-methoxy-2-phenylmethoxycycloheptane;ethylbenzene (PubChem CID 142842449) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is cis-(1R,2S)-1-methoxy-2-phenylmethoxycycloheptane;ethylbenzene.

Molecular Properties

Compound Namecis-(1R,2S)-1-methoxy-2-phenylmethoxycycloheptane;ethylbenzene
PubChem CID142842449
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Namecis-(1R,2S)-1-methoxy-2-phenylmethoxycycloheptane;ethylbenzene
SMILESCCc1ccccc1.CO[C@@H]1CCCCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C15H22O2.C8H10/c1-16-14-10-6-3-7-11-15(14)17-12-13-8-4-2-5-9-13;1-2-8-6-4-3-5-7-8/h2,4-5,8-9,14-15H,3,6-7,10-12H2,1H3;3-7H,2H2,1H3/t14-,15+;/m1./s1
InChIKeyISGWSWURWRDASR-LIOBNPLQSA-N
XLogP5.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cis-(1R,2S)-1-methoxy-2-phenylmethoxycycloheptane;ethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
trans-(1R,2R)-N-ethyl-2-phenylmethoxycyclohexan-1-amine
CID 129030197
(2R,3R)-2-methoxy-3-phenylmethoxyoxane
CID 139918795
[(1R,2R)-2-phenylmethoxycyclopentyl]azanium
CID 11863648
(1R,2S,3S)-2-methoxy-3-phenylmethoxycyclopentan-1-ol
CID 139810577
(2S)-2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine
CID 58651111
2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine
CID 21034227
bromo-[(1S,2S)-2-phenylmethoxycyclohexyl]mercury
CID 134981077
trans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine
CID 58216107

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-methoxy-2-phenylmethoxycycloheptane;ethylbenzene?
The IUPAC name of cis-(1R,2S)-1-methoxy-2-phenylmethoxycycloheptane;ethylbenzene (CID 142842449) is cis-(1R,2S)-1-methoxy-2-phenylmethoxycycloheptane;ethylbenzene.
What is the SMILES notation for cis-(1R,2S)-1-methoxy-2-phenylmethoxycycloheptane;ethylbenzene?
The canonical SMILES for cis-(1R,2S)-1-methoxy-2-phenylmethoxycycloheptane;ethylbenzene is CCc1ccccc1.CO[C@@H]1CCCCC[C@@H]1OCc1ccccc1.
What is the InChIKey of cis-(1R,2S)-1-methoxy-2-phenylmethoxycycloheptane;ethylbenzene?
The InChIKey is ISGWSWURWRDASR-LIOBNPLQSA-N. The full InChI is InChI=1S/C15H22O2.C8H10/c1-16-14-10-6-3-7-11-15(14)17-12-13-8-4-2-5-9-13;1-2-8-6-4-3-5-7-8/h2,4-5,8-9,14-15H,3,6-7,10-12H2,1H3;3-7H,2H2,1H3/t14-,15+;/m1./s1.
What are the key properties of cis-(1R,2S)-1-methoxy-2-phenylmethoxycycloheptane;ethylbenzene?
cis-(1R,2S)-1-methoxy-2-phenylmethoxycycloheptane;ethylbenzene has a molecular weight of 340.51 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-methoxy-2-phenylmethoxycycloheptane;ethylbenzene is sourced from PubChem (CID 142842449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).