ethane;methane;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)phenol

C30H35NO2 — CID 143292387

IUPACethane;methane;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)phenol
SMILESC.CC.CC1CC(c2ccccc2)(c2cc(OCc3ccc4ccccc4n3)ccc2O)C1
InChIInChI=1S/C27H25NO2.C2H6.CH4/c1-19-16-27(17-19,21-8-3-2-4-9-21)24-15-23(13-14-26(24)29)30-18-22-12-11-20-7-5-6-10-25(20)28-22;1-2;/h2-15,19,29H,16-18H2,1H3;1-2H3;1H4
InChIKeySMFLHVUWINJJFC-UHFFFAOYSA-N
MW441.62 g/mol
LogP7.90
Rot. Bonds5

About ethane;methane;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)phenol

ethane;methane;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)phenol (PubChem CID 143292387) has the molecular formula C30H35NO2 and a molecular weight of 441.62 g/mol. Its IUPAC name is ethane;methane;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)phenol.

Molecular Properties

Compound Nameethane;methane;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)phenol
PubChem CID143292387
Molecular FormulaC30H35NO2
Molecular Weight441.62 g/mol
Exact Mass441.27
IUPAC Nameethane;methane;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)phenol
SMILESC.CC.CC1CC(c2ccccc2)(c2cc(OCc3ccc4ccccc4n3)ccc2O)C1
InChIInChI=1S/C27H25NO2.C2H6.CH4/c1-19-16-27(17-19,21-8-3-2-4-9-21)24-15-23(13-14-26(24)29)30-18-22-12-11-20-7-5-6-10-25(20)28-22;1-2;/h2-15,19,29H,16-18H2,1H3;1-2H3;1H4
InChIKeySMFLHVUWINJJFC-UHFFFAOYSA-N
XLogP7.90
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.62
LogP ≤ 57.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(6-fluoroquinolin-2-yl)methoxy]-N'-hydroxy-2-(3-methyl-1-phenylcyclobutyl)benzenecarboximidamide
CID 87650536
4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexan-1-ol
CID 10698227
2-[[4-methyl-3-(2-phenyl-2-bicyclo[2.2.1]heptanyl)phenoxy]methyl]quinoline
CID 70950439
2-(3,3-dimethyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzohydrazide
CID 68896899
CID 67726997
CID 67726997
2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid
CID 67896812
CID 89063446
CID 89063446
[2-[(1S,2R,4S)-2-phenyl-2-bicyclo[2.2.1]heptanyl]-4-(quinolin-2-ylmethoxy)phenyl]-pyrrolidin-1-ylmethanone
CID 70696347
methyl 1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentane-1-carboxylate
CID 15052569
N-[6-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]hydroxylamine
CID 54120459
2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
CID 22241469
2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid
CID 110168584

Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)phenol?
The IUPAC name of ethane;methane;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)phenol (CID 143292387) is ethane;methane;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)phenol.
What is the SMILES notation for ethane;methane;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)phenol?
The canonical SMILES for ethane;methane;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)phenol is C.CC.CC1CC(c2ccccc2)(c2cc(OCc3ccc4ccccc4n3)ccc2O)C1.
What is the InChIKey of ethane;methane;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)phenol?
The InChIKey is SMFLHVUWINJJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO2.C2H6.CH4/c1-19-16-27(17-19,21-8-3-2-4-9-21)24-15-23(13-14-26(24)29)30-18-22-12-11-20-7-5-6-10-25(20)28-22;1-2;/h2-15,19,29H,16-18H2,1H3;1-2H3;1H4.
What are the key properties of ethane;methane;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)phenol?
ethane;methane;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)phenol has a molecular weight of 441.62 g/mol, XLogP of 7.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)phenol is sourced from PubChem (CID 143292387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).