[4-(oxan-2-yloxymethyl)phenyl]methyl carbamate

C14H19NO4 — CID 151097937

IUPAC[4-(oxan-2-yloxymethyl)phenyl]methyl carbamate
SMILESNC(=O)OCc1ccc(COC2CCCCO2)cc1
InChIInChI=1S/C14H19NO4/c15-14(16)19-10-12-6-4-11(5-7-12)9-18-13-3-1-2-8-17-13/h4-7,13H,1-3,8-10H2,(H2,15,16)
InChIKeyMNNDDRFHUCATNB-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.33
Rot. Bonds5

About [4-(oxan-2-yloxymethyl)phenyl]methyl carbamate

[4-(oxan-2-yloxymethyl)phenyl]methyl carbamate (PubChem CID 151097937) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is [4-(oxan-2-yloxymethyl)phenyl]methyl carbamate.

Molecular Properties

Compound Name[4-(oxan-2-yloxymethyl)phenyl]methyl carbamate
PubChem CID151097937
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name[4-(oxan-2-yloxymethyl)phenyl]methyl carbamate
SMILESNC(=O)OCc1ccc(COC2CCCCO2)cc1
InChIInChI=1S/C14H19NO4/c15-14(16)19-10-12-6-4-11(5-7-12)9-18-13-3-1-2-8-17-13/h4-7,13H,1-3,8-10H2,(H2,15,16)
InChIKeyMNNDDRFHUCATNB-UHFFFAOYSA-N
XLogP2.33
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-bromophenyl)methoxy]oxane
CID 68903974
3-(oxan-2-yloxymethyl)benzamide
CID 139882771
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561
2-(oxan-2-yloxy)ethyl carbamate
CID 22442425
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
1,3-bis[3-(oxan-2-yloxymethyl)phenyl]propan-2-one
CID 146792534
[4-(oxan-2-yloxymethyl)phenyl]-diphenylphosphane
CID 71336769
3-(diethylamino)propyl 4-(oxan-2-yloxymethyl)benzoate
CID 178081024
[4-(oxan-2-yloxymethyl)phenyl]-di(propan-2-yl)sulfanium
CID 163530015
[4-(oxan-2-yloxymethyl)phenyl]-di(propan-2-yl)silanylium
CID 143652395

Frequently Asked Questions

What is the IUPAC name of [4-(oxan-2-yloxymethyl)phenyl]methyl carbamate?
The IUPAC name of [4-(oxan-2-yloxymethyl)phenyl]methyl carbamate (CID 151097937) is [4-(oxan-2-yloxymethyl)phenyl]methyl carbamate.
What is the SMILES notation for [4-(oxan-2-yloxymethyl)phenyl]methyl carbamate?
The canonical SMILES for [4-(oxan-2-yloxymethyl)phenyl]methyl carbamate is NC(=O)OCc1ccc(COC2CCCCO2)cc1.
What is the InChIKey of [4-(oxan-2-yloxymethyl)phenyl]methyl carbamate?
The InChIKey is MNNDDRFHUCATNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c15-14(16)19-10-12-6-4-11(5-7-12)9-18-13-3-1-2-8-17-13/h4-7,13H,1-3,8-10H2,(H2,15,16).
What are the key properties of [4-(oxan-2-yloxymethyl)phenyl]methyl carbamate?
[4-(oxan-2-yloxymethyl)phenyl]methyl carbamate has a molecular weight of 265.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxan-2-yloxymethyl)phenyl]methyl carbamate is sourced from PubChem (CID 151097937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).