ethane;4-[4-(methoxymethyl)phenyl]cyclohepta-1,3,6-trien-1-ol;phosphanylmethanol

C18H27O3P — CID 144822269

IUPACethane;4-[4-(methoxymethyl)phenyl]cyclohepta-1,3,6-trien-1-ol;phosphanylmethanol
SMILESCC.COCc1ccc(C2=CC=C(O)C=CC2)cc1.OCP
InChIInChI=1S/C15H16O2.C2H6.CH5OP/c1-17-11-12-5-7-14(8-6-12)13-3-2-4-15(16)10-9-13;1-2;2-1-3/h2,4-10,16H,3,11H2,1H3;1-2H3;2H,1,3H2
InChIKeyMRCWRGNVKZPQOU-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.46
Rot. Bonds3

About ethane;4-[4-(methoxymethyl)phenyl]cyclohepta-1,3,6-trien-1-ol;phosphanylmethanol

ethane;4-[4-(methoxymethyl)phenyl]cyclohepta-1,3,6-trien-1-ol;phosphanylmethanol (PubChem CID 144822269) has the molecular formula C18H27O3P and a molecular weight of 322.39 g/mol. Its IUPAC name is ethane;4-[4-(methoxymethyl)phenyl]cyclohepta-1,3,6-trien-1-ol;phosphanylmethanol.

Molecular Properties

Compound Nameethane;4-[4-(methoxymethyl)phenyl]cyclohepta-1,3,6-trien-1-ol;phosphanylmethanol
PubChem CID144822269
Molecular FormulaC18H27O3P
Molecular Weight322.39 g/mol
Exact Mass322.17
IUPAC Nameethane;4-[4-(methoxymethyl)phenyl]cyclohepta-1,3,6-trien-1-ol;phosphanylmethanol
SMILESCC.COCc1ccc(C2=CC=C(O)C=CC2)cc1.OCP
InChIInChI=1S/C15H16O2.C2H6.CH5OP/c1-17-11-12-5-7-14(8-6-12)13-3-2-4-15(16)10-9-13;1-2;2-1-3/h2,4-10,16H,3,11H2,1H3;1-2H3;2H,1,3H2
InChIKeyMRCWRGNVKZPQOU-UHFFFAOYSA-N
XLogP4.46
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-(methoxymethyl)-4-phenylbenzene
CID 14906855
azane;1-(methoxymethyl)-4-methylbenzene
CID 175555359
methane;1-(methoxymethyl)-4-methylbenzene
CID 158294039
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene
CID 21396720
1-[4-[4-[4-(methoxymethyl)phenyl]phenyl]phenyl]ethanone
CID 71344884
4-[2-[4-(methoxymethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide
CID 22917367
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride
CID 67583384
N,N-dihydroxy-4-(methoxymethyl)aniline
CID 90693796
1-(4-bromophenyl)-4-methylcyclohepta-1,3,5-triene
CID 142964988
formaldehyde;1-(methoxymethyl)-4-phenylbenzene
CID 168878800
1-(methoxymethyl)-4-[4-(2-methylpropyl)phenyl]benzene
CID 149288523
ethane;3-[4-(methoxymethyl)phenyl]-2-methylpyridine
CID 144506103

Frequently Asked Questions

What is the IUPAC name of ethane;4-[4-(methoxymethyl)phenyl]cyclohepta-1,3,6-trien-1-ol;phosphanylmethanol?
The IUPAC name of ethane;4-[4-(methoxymethyl)phenyl]cyclohepta-1,3,6-trien-1-ol;phosphanylmethanol (CID 144822269) is ethane;4-[4-(methoxymethyl)phenyl]cyclohepta-1,3,6-trien-1-ol;phosphanylmethanol.
What is the SMILES notation for ethane;4-[4-(methoxymethyl)phenyl]cyclohepta-1,3,6-trien-1-ol;phosphanylmethanol?
The canonical SMILES for ethane;4-[4-(methoxymethyl)phenyl]cyclohepta-1,3,6-trien-1-ol;phosphanylmethanol is CC.COCc1ccc(C2=CC=C(O)C=CC2)cc1.OCP.
What is the InChIKey of ethane;4-[4-(methoxymethyl)phenyl]cyclohepta-1,3,6-trien-1-ol;phosphanylmethanol?
The InChIKey is MRCWRGNVKZPQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.C2H6.CH5OP/c1-17-11-12-5-7-14(8-6-12)13-3-2-4-15(16)10-9-13;1-2;2-1-3/h2,4-10,16H,3,11H2,1H3;1-2H3;2H,1,3H2.
What are the key properties of ethane;4-[4-(methoxymethyl)phenyl]cyclohepta-1,3,6-trien-1-ol;phosphanylmethanol?
ethane;4-[4-(methoxymethyl)phenyl]cyclohepta-1,3,6-trien-1-ol;phosphanylmethanol has a molecular weight of 322.39 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[4-(methoxymethyl)phenyl]cyclohepta-1,3,6-trien-1-ol;phosphanylmethanol is sourced from PubChem (CID 144822269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).