(2,2-dimethyl-7-phenylmethoxy-3,4-dihydrobenzo[h]chromen-5-yl)-morpholin-4-ylmethanone

C27H29NO4 — CID 162652254

IUPAC(2,2-dimethyl-7-phenylmethoxy-3,4-dihydrobenzo[h]chromen-5-yl)-morpholin-4-ylmethanone
SMILESCC1(C)CCc2c(C(=O)N3CCOCC3)cc3c(OCc4ccccc4)cccc3c2O1
InChIInChI=1S/C27H29NO4/c1-27(2)12-11-21-23(26(29)28-13-15-30-16-14-28)17-22-20(25(21)32-27)9-6-10-24(22)31-18-19-7-4-3-5-8-19/h3-10,17H,11-16,18H2,1-2H3
InChIKeyLVVLQKHPSXEICO-UHFFFAOYSA-N
MW431.53 g/mol
LogP4.99
Rot. Bonds4

About (2,2-dimethyl-7-phenylmethoxy-3,4-dihydrobenzo[h]chromen-5-yl)-morpholin-4-ylmethanone

(2,2-dimethyl-7-phenylmethoxy-3,4-dihydrobenzo[h]chromen-5-yl)-morpholin-4-ylmethanone (PubChem CID 162652254) has the molecular formula C27H29NO4 and a molecular weight of 431.53 g/mol. Its IUPAC name is (2,2-dimethyl-7-phenylmethoxy-3,4-dihydrobenzo[h]chromen-5-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2,2-dimethyl-7-phenylmethoxy-3,4-dihydrobenzo[h]chromen-5-yl)-morpholin-4-ylmethanone
PubChem CID162652254
Molecular FormulaC27H29NO4
Molecular Weight431.53 g/mol
Exact Mass431.21
IUPAC Name(2,2-dimethyl-7-phenylmethoxy-3,4-dihydrobenzo[h]chromen-5-yl)-morpholin-4-ylmethanone
SMILESCC1(C)CCc2c(C(=O)N3CCOCC3)cc3c(OCc4ccccc4)cccc3c2O1
InChIInChI=1S/C27H29NO4/c1-27(2)12-11-21-23(26(29)28-13-15-30-16-14-28)17-22-20(25(21)32-27)9-6-10-24(22)31-18-19-7-4-3-5-8-19/h3-10,17H,11-16,18H2,1-2H3
InChIKeyLVVLQKHPSXEICO-UHFFFAOYSA-N
XLogP4.99
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-7-phenylmethoxy-3,4-dihydrobenzo[h]chromen-5-yl)-morpholin-4-ylmethanone?
The IUPAC name of (2,2-dimethyl-7-phenylmethoxy-3,4-dihydrobenzo[h]chromen-5-yl)-morpholin-4-ylmethanone (CID 162652254) is (2,2-dimethyl-7-phenylmethoxy-3,4-dihydrobenzo[h]chromen-5-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2,2-dimethyl-7-phenylmethoxy-3,4-dihydrobenzo[h]chromen-5-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (2,2-dimethyl-7-phenylmethoxy-3,4-dihydrobenzo[h]chromen-5-yl)-morpholin-4-ylmethanone is CC1(C)CCc2c(C(=O)N3CCOCC3)cc3c(OCc4ccccc4)cccc3c2O1.
What is the InChIKey of (2,2-dimethyl-7-phenylmethoxy-3,4-dihydrobenzo[h]chromen-5-yl)-morpholin-4-ylmethanone?
The InChIKey is LVVLQKHPSXEICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO4/c1-27(2)12-11-21-23(26(29)28-13-15-30-16-14-28)17-22-20(25(21)32-27)9-6-10-24(22)31-18-19-7-4-3-5-8-19/h3-10,17H,11-16,18H2,1-2H3.
What are the key properties of (2,2-dimethyl-7-phenylmethoxy-3,4-dihydrobenzo[h]chromen-5-yl)-morpholin-4-ylmethanone?
(2,2-dimethyl-7-phenylmethoxy-3,4-dihydrobenzo[h]chromen-5-yl)-morpholin-4-ylmethanone has a molecular weight of 431.53 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-7-phenylmethoxy-3,4-dihydrobenzo[h]chromen-5-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 162652254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).