(2S)-2-[(4-bromophenyl)methoxy]oxane

C12H15BrO2 — CID 68903974

IUPAC(2S)-2-[(4-bromophenyl)methoxy]oxane
SMILESBrc1ccc(CO[C@H]2CCCCO2)cc1
InChIInChI=1S/C12H15BrO2/c13-11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h4-7,12H,1-3,8-9H2/t12-/m0/s1
InChIKeyQQDHNPZEXZGTEL-LBPRGKRZSA-N
MW271.15 g/mol
LogP3.49
Rot. Bonds3

About (2S)-2-[(4-bromophenyl)methoxy]oxane

(2S)-2-[(4-bromophenyl)methoxy]oxane (PubChem CID 68903974) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is (2S)-2-[(4-bromophenyl)methoxy]oxane.

Molecular Properties

Compound Name(2S)-2-[(4-bromophenyl)methoxy]oxane
PubChem CID68903974
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name(2S)-2-[(4-bromophenyl)methoxy]oxane
SMILESBrc1ccc(CO[C@H]2CCCCO2)cc1
InChIInChI=1S/C12H15BrO2/c13-11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h4-7,12H,1-3,8-9H2/t12-/m0/s1
InChIKeyQQDHNPZEXZGTEL-LBPRGKRZSA-N
XLogP3.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561
2-bromo-5-(oxan-2-yloxymethyl)pyridine
CID 18469682
[4-(oxan-2-yloxymethyl)phenyl]methyl carbamate
CID 151097937
4-(oxan-2-yloxymethyl)-N-[4-[4-[4-(oxan-2-yloxymethyl)-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]anilino]phenyl]phenyl]-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]aniline
CID 89394119
2-[(4-chlorophenyl)methoxy]oxolane
CID 102105550
2-[(4-methylphenyl)methoxy]oxolane
CID 11745476
[4-(oxan-2-yloxymethyl)phenyl]-diphenylphosphane
CID 71336769
2-bromo-4-(oxan-2-yloxymethyl)benzonitrile
CID 90092021
sodium;4-[2-(4-aminophenyl)ethyl]aniline;2-[(4-bromophenyl)methoxy]oxane;methane;2-methylpropan-2-olate;4-[2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]ethyl]-N,N-bis[4-(oxan-2-yloxymethyl)phenyl]aniline
CID 162090938
[4-(oxan-2-yloxymethyl)phenyl]-di(propan-2-yl)silanylium
CID 143652395
[4-(oxan-2-yloxymethyl)phenyl]-di(propan-2-yl)sulfanium
CID 163530015
2-[(4-methoxyphenyl)methoxy]oxolane
CID 10899818

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-bromophenyl)methoxy]oxane?
The IUPAC name of (2S)-2-[(4-bromophenyl)methoxy]oxane (CID 68903974) is (2S)-2-[(4-bromophenyl)methoxy]oxane.
What is the SMILES notation for (2S)-2-[(4-bromophenyl)methoxy]oxane?
The canonical SMILES for (2S)-2-[(4-bromophenyl)methoxy]oxane is Brc1ccc(CO[C@H]2CCCCO2)cc1.
What is the InChIKey of (2S)-2-[(4-bromophenyl)methoxy]oxane?
The InChIKey is QQDHNPZEXZGTEL-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15BrO2/c13-11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h4-7,12H,1-3,8-9H2/t12-/m0/s1.
What are the key properties of (2S)-2-[(4-bromophenyl)methoxy]oxane?
(2S)-2-[(4-bromophenyl)methoxy]oxane has a molecular weight of 271.15 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-bromophenyl)methoxy]oxane is sourced from PubChem (CID 68903974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).