1-bromo-4-phenylmethoxybenzene;oxolane

C17H19BrO2 — CID 175495084

IUPAC1-bromo-4-phenylmethoxybenzene;oxolane
SMILESBrc1ccc(OCc2ccccc2)cc1.C1CCOC1
InChIInChI=1S/C13H11BrO.C4H8O/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;1-2-4-5-3-1/h1-9H,10H2;1-4H2
InChIKeyNAEUNGRVVOYFCN-UHFFFAOYSA-N
MW335.24 g/mol
LogP4.82
Rot. Bonds3

About 1-bromo-4-phenylmethoxybenzene;oxolane

1-bromo-4-phenylmethoxybenzene;oxolane (PubChem CID 175495084) has the molecular formula C17H19BrO2 and a molecular weight of 335.24 g/mol. Its IUPAC name is 1-bromo-4-phenylmethoxybenzene;oxolane.

Molecular Properties

Compound Name1-bromo-4-phenylmethoxybenzene;oxolane
PubChem CID175495084
Molecular FormulaC17H19BrO2
Molecular Weight335.24 g/mol
Exact Mass334.06
IUPAC Name1-bromo-4-phenylmethoxybenzene;oxolane
SMILESBrc1ccc(OCc2ccccc2)cc1.C1CCOC1
InChIInChI=1S/C13H11BrO.C4H8O/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;1-2-4-5-3-1/h1-9H,10H2;1-4H2
InChIKeyNAEUNGRVVOYFCN-UHFFFAOYSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-phenylmethoxyphenyl) hypobromite
CID 151898979
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
2-bromo-6-phenylmethoxynaphthalene
CID 640595
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 3334756
4-bromo-2-iodo-1-(4-phenylmethoxyphenyl)benzene
CID 126702173
2-(4-phenylmethoxyphenoxy)oxane
CID 11076959
2-(4-bromophenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 1343788
1-(8-bromooctoxy)-4-phenylmethoxybenzene
CID 86051798
1-bromo-3-(4-phenylmethoxyphenoxy)benzene
CID 44818238
4-phenylmethoxyaniline
CID 159966727
1-(iodomethyl)-4-phenylmethoxybenzene;oxolane;pentane-2,4-dione;6-(4-phenylmethoxyphenyl)hexane-2,4-dione
CID 161342425

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-phenylmethoxybenzene;oxolane?
The IUPAC name of 1-bromo-4-phenylmethoxybenzene;oxolane (CID 175495084) is 1-bromo-4-phenylmethoxybenzene;oxolane.
What is the SMILES notation for 1-bromo-4-phenylmethoxybenzene;oxolane?
The canonical SMILES for 1-bromo-4-phenylmethoxybenzene;oxolane is Brc1ccc(OCc2ccccc2)cc1.C1CCOC1.
What is the InChIKey of 1-bromo-4-phenylmethoxybenzene;oxolane?
The InChIKey is NAEUNGRVVOYFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO.C4H8O/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;1-2-4-5-3-1/h1-9H,10H2;1-4H2.
What are the key properties of 1-bromo-4-phenylmethoxybenzene;oxolane?
1-bromo-4-phenylmethoxybenzene;oxolane has a molecular weight of 335.24 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-phenylmethoxybenzene;oxolane is sourced from PubChem (CID 175495084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).